# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2010

data_ana
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
ana/Li-N 2.11-2.17/H-H 1.87-6.65
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_ana.cif. 
;
_cell_length_a                      21.8843
_cell_length_b                      21.8843
_cell_length_c                      21.8843
_cell_angle_alpha                   109.47
_cell_angle_beta                    109.47
_cell_angle_gamma                   109.47
_cell_volume                        8068.554
_cell_formula_units_Z               12
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.25999 0.02712 0.11159 1
H2 H 1 0.19180 0.93257 0.15605 1
H3 H 1 0.08612 0.82040 0.91916 1
H4 H 1 0.91902 0.13877 0.07702 1
H5 H 1 0.75213 0.07846 0.86699 1
H6 H 1 0.68393 0.00828 0.92967 1
H7 H 1 0.58204 0.76342 0.57306 1
H8 H 1 0.81257 0.73901 0.31992 1
H9 H 1 0.91521 0.49280 0.17947 1
H10 H 1 0.92968 0.68393 0.00829 1
H11 H 1 0.00829 0.92967 0.68393 1
H12 H 1 0.17947 0.91521 0.49280 1
H13 H 1 0.76343 0.57306 0.58204 1
H14 H 1 0.57306 0.58204 0.76343 1
H15 H 1 0.73901 0.31991 0.81257 1
H16 H 1 0.31992 0.81257 0.73901 1
H17 H 1 0.49280 0.17946 0.91521 1
H18 H 1 0.49171 0.81607 0.57032 1
H19 H 1 0.73657 0.91796 0.92694 1
H20 H 1 0.76099 0.68743 0.18008 1
H21 H 1 0.00720 0.58479 0.32053 1
H22 H 1 0.81607 0.57032 0.49171 1
H23 H 1 0.57032 0.49171 0.81607 1
H24 H 1 0.58479 0.32053 0.00720 1
H25 H 1 0.92693 0.73657 0.91796 1
H26 H 1 0.91796 0.92693 0.73657 1
H27 H 1 0.18008 0.76099 0.68743 1
H28 H 1 0.68742 0.18008 0.76098 1
H29 H 1 0.32054 0.00720 0.58479 1
H30 H 1 0.71197 0.89463 0.62990 1
H31 H 1 0.73999 0.60776 0.31951 1
H32 H 1 0.78545 0.42130 0.18193 1
H33 H 1 0.86699 0.75212 0.07847 1
H34 H 1 0.07847 0.86699 0.75213 1
H35 H 1 0.18194 0.78546 0.42130 1
H36 H 1 0.89463 0.62989 0.71197 1
H37 H 1 0.62990 0.71197 0.89463 1
H38 H 1 0.60776 0.31950 0.73999 1
H39 H 1 0.31950 0.73998 0.60776 1
H40 H 1 0.42130 0.18193 0.78546 1
H41 H 1 0.42153 0.74788 0.63300 1
H42 H 1 0.60537 0.78803 0.87011 1
H43 H 1 0.89223 0.76001 0.18049 1
H44 H 1 0.07870 0.71455 0.31807 1
H45 H 1 0.74787 0.63300 0.42153 1
H46 H 1 0.63300 0.42153 0.74787 1
H47 H 1 0.71454 0.31806 0.07870 1
H48 H 1 0.87010 0.60537 0.78803 1
H49 H 1 0.78803 0.87010 0.60537 1
H50 H 1 0.18050 0.89224 0.76001 1
H51 H 1 0.76001 0.18049 0.89223 1
H52 H 1 0.31807 0.07870 0.71454 1
H53 H 1 0.55803 0.83717 0.41441 1
H54 H 1 0.57943 0.66176 0.22147 1
H55 H 1 0.94055 0.36384 0.28423 1
H56 H 1 0.07701 0.91901 0.13877 1
H57 H 1 0.13877 0.07702 0.91902 1
H58 H 1 0.28423 0.94055 0.36384 1
H59 H 1 0.83718 0.41440 0.55803 1
H60 H 1 0.41441 0.55803 0.83718 1
H61 H 1 0.66177 0.22148 0.57943 1
H62 H 1 0.22147 0.57943 0.66176 1
H63 H 1 0.36384 0.28422 0.94055 1
H64 H 1 0.36123 0.58099 0.42299 1
H65 H 1 0.66283 0.94197 0.08560 1
H66 H 1 0.83823 0.92057 0.27853 1
H67 H 1 0.13616 0.55945 0.21577 1
H68 H 1 0.58098 0.42298 0.36123 1
H69 H 1 0.42299 0.36123 0.58098 1
H70 H 1 0.55945 0.21577 0.13616 1
H71 H 1 0.08559 0.66283 0.94197 1
H72 H 1 0.94197 0.08559 0.66283 1
H73 H 1 0.27853 0.83823 0.92057 1
H74 H 1 0.92057 0.27853 0.83824 1
H75 H 1 0.21577 0.13616 0.55945 1
H76 H 1 0.40036 0.16492 0.58269 1
H77 H 1 0.42114 0.34627 0.75231 1
H78 H 1 0.09508 0.67276 0.75405 1
H79 H 1 0.91915 0.08611 0.82040 1
H80 H 1 0.82040 0.91915 0.08612 1
H81 H 1 0.75404 0.09508 0.67276 1
H82 H 1 0.16491 0.58269 0.40036 1
H83 H 1 0.58269 0.40036 0.16492 1
H84 H 1 0.34628 0.75231 0.42114 1
H85 H 1 0.75231 0.42114 0.34628 1
H86 H 1 0.67276 0.75405 0.09508 1
H87 H 1 0.67960 0.41388 0.58085 1
H88 H 1 0.33509 0.09964 0.91732 1
H89 H 1 0.15372 0.07885 0.74769 1
H90 H 1 0.82724 0.40492 0.74595 1
H91 H 1 0.41388 0.58085 0.67960 1
H92 H 1 0.58084 0.67960 0.41388 1
H93 H 1 0.40492 0.74595 0.82724 1
H94 H 1 0.91731 0.33509 0.09964 1
H95 H 1 0.09964 0.91731 0.33509 1
H96 H 1 0.74769 0.15373 0.07886 1
H97 H 1 0.07886 0.74769 0.15373 1
H98 H 1 0.74595 0.82724 0.40492 1
H99 H 1 0.27152 0.03831 0.34567 1
H100 H 1 0.28788 0.44544 0.70514 1
H101 H 1 0.23478 0.57681 0.78047 1
H102 H 1 0.15604 0.19181 0.93257 1
H103 H 1 0.93257 0.15604 0.19181 1
H104 H 1 0.78047 0.23478 0.57681 1
H105 H 1 0.03832 0.34567 0.27152 1
H106 H 1 0.34567 0.27151 0.03832 1
H107 H 1 0.44544 0.70513 0.28788 1
H108 H 1 0.70513 0.28788 0.44544 1
H109 H 1 0.57680 0.78046 0.23478 1
H110 H 1 0.56742 0.30820 0.34396 1
H111 H 1 0.46168 0.22849 0.15433 1
H112 H 1 0.05456 0.21212 0.79487 1
H113 H 1 0.92319 0.26523 0.71954 1
H114 H 1 0.30820 0.34396 0.56743 1
H115 H 1 0.34395 0.56742 0.30820 1
H116 H 1 0.26523 0.71953 0.92319 1
H117 H 1 0.15433 0.46167 0.22850 1
H118 H 1 0.22850 0.15432 0.46167 1
H119 H 1 0.79487 0.05456 0.21212 1
H120 H 1 0.21212 0.79486 0.05455 1
H121 H 1 0.71953 0.92319 0.26523 1
H122 H 1 0.40815 0.15356 0.38910 1
H123 H 1 0.21242 0.32583 0.71997 1
H124 H 1 0.10004 0.48446 0.76266 1
H125 H 1 0.11159 0.26000 0.02711 1
H126 H 1 0.02712 0.11159 0.26000 1
H127 H 1 0.76266 0.10004 0.48447 1
H128 H 1 0.15357 0.38910 0.40814 1
H129 H 1 0.38910 0.40814 0.15357 1
H130 H 1 0.32583 0.71997 0.21242 1
H131 H 1 0.71997 0.21242 0.32583 1
H132 H 1 0.48446 0.76266 0.10004 1
H133 H 1 0.47287 0.24001 0.38841 1
H134 H 1 0.34643 0.09186 0.11090 1
H135 H 1 0.17417 0.28758 0.78003 1
H136 H 1 0.01554 0.39996 0.73734 1
H137 H 1 0.24001 0.38841 0.47288 1
H138 H 1 0.38841 0.47287 0.24001 1
H139 H 1 0.39996 0.73734 0.01554 1
H140 H 1 0.11090 0.34642 0.09188 1
H141 H 1 0.09187 0.11090 0.34642 1
H142 H 1 0.78003 0.17417 0.28758 1
H143 H 1 0.28758 0.78002 0.17417 1
H144 H 1 0.73734 0.01553 0.39996 1
Li1 Li 1 0.93122 0.21542 0.96644 1
Li2 Li 1 0.56878 0.53356 0.28459 1
Li3 Li 1 0.96643 0.93122 0.21542 1
Li4 Li 1 0.21542 0.96643 0.93122 1
Li5 Li 1 0.53356 0.28458 0.56878 1
Li6 Li 1 0.28458 0.56878 0.53357 1
Li7 Li 1 0.28239 0.21761 0.75000 1
Li8 Li 1 0.75000 0.96817 0.53183 1
Li9 Li 1 0.96817 0.53183 0.75000 1
Li10 Li 1 0.75000 0.28239 0.21761 1
Li11 Li 1 0.21761 0.75000 0.28239 1
Li12 Li 1 0.53183 0.75000 0.96818 1
B1 B 1 0.25000 0.03346 0.46654 1
B2 B 1 0.07224 0.78612 0.03532 1
B3 B 1 0.25000 0.71419 0.78581 1
B4 B 1 0.42776 0.46468 0.71388 1
B5 B 1 0.46654 0.25000 0.03346 1
B6 B 1 0.03346 0.46654 0.25000 1
B7 B 1 0.71388 0.42776 0.46468 1
B8 B 1 0.78612 0.03532 0.07224 1
B9 B 1 0.03532 0.07224 0.78612 1
B10 B 1 0.71419 0.78581 0.25000 1
B11 B 1 0.78581 0.25000 0.71419 1
B12 B 1 0.46468 0.71388 0.42776 1
C1 C 1 0.12483 0.86483 0.97732 1
C2 C 1 0.21365 0.96969 0.07709 1
C3 C 1 0.17916 0.92419 0.10038 1
C4 C 1 0.77739 0.08274 0.92143 1
C5 C 1 0.74256 0.04651 0.95135 1
C6 C 1 0.86450 0.11426 0.02843 1
C7 C 1 0.58386 0.83564 0.46559 1
C8 C 1 0.63276 0.66461 0.24947 1
C9 C 1 0.91463 0.38779 0.25486 1
C10 C 1 0.02843 0.86449 0.11427 1
C11 C 1 0.11426 0.02843 0.86449 1
C12 C 1 0.25486 0.91463 0.38779 1
C13 C 1 0.83565 0.46559 0.58386 1
C14 C 1 0.46559 0.58386 0.83565 1
C15 C 1 0.66461 0.24947 0.63276 1
C16 C 1 0.24947 0.63276 0.66461 1
C17 C 1 0.38779 0.25485 0.91464 1
C18 C 1 0.38574 0.63551 0.47157 1
C19 C 1 0.66436 0.91614 0.03441 1
C20 C 1 0.83539 0.86724 0.25053 1
C21 C 1 0.11221 0.58536 0.24514 1
C22 C 1 0.63551 0.47157 0.38574 1
C23 C 1 0.47157 0.38574 0.63551 1
C24 C 1 0.58536 0.24514 0.11221 1
C25 C 1 0.03441 0.66436 0.91614 1
C26 C 1 0.91614 0.03441 0.66436 1
C27 C 1 0.25053 0.83539 0.86724 1
C28 C 1 0.86724 0.25053 0.83539 1
C29 C 1 0.24515 0.11221 0.58536 1
C30 C 1 0.59674 0.79770 0.54834 1
C31 C 1 0.75376 0.70420 0.30060 1
C32 C 1 0.90094 0.45481 0.20069 1
C33 C 1 0.95135 0.74256 0.04651 1
C34 C 1 0.04651 0.95135 0.74256 1
C35 C 1 0.20069 0.90094 0.45481 1
C36 C 1 0.79770 0.54834 0.59674 1
C37 C 1 0.54834 0.59674 0.79770 1
C38 C 1 0.70420 0.30060 0.75376 1
C39 C 1 0.30060 0.75376 0.70420 1
C40 C 1 0.45481 0.20069 0.90094 1
C41 C 1 0.45349 0.75745 0.54865 1
C42 C 1 0.70230 0.90326 0.95166 1
C43 C 1 0.79580 0.74624 0.19940 1
C44 C 1 0.04519 0.59906 0.29931 1
C45 C 1 0.75744 0.54864 0.45349 1
C46 C 1 0.54865 0.45349 0.75744 1
C47 C 1 0.59906 0.29931 0.04519 1
C48 C 1 0.95165 0.70230 0.90326 1
C49 C 1 0.90326 0.95165 0.70230 1
C50 C 1 0.19940 0.79580 0.74624 1
C51 C 1 0.74624 0.19939 0.79580 1
C52 C 1 0.29932 0.04519 0.59906 1
C53 C 1 0.66135 0.86273 0.57544 1
C54 C 1 0.71674 0.63922 0.30069 1
C55 C 1 0.83646 0.41816 0.20177 1
C56 C 1 0.92143 0.77738 0.08275 1
C57 C 1 0.08275 0.92144 0.77739 1
C58 C 1 0.20177 0.83646 0.41816 1
C59 C 1 0.86273 0.57543 0.66135 1
C60 C 1 0.57544 0.66135 0.86273 1
C61 C 1 0.63922 0.30068 0.71674 1
C62 C 1 0.30068 0.71674 0.63922 1
C63 C 1 0.41816 0.20177 0.83646 1
C64 C 1 0.41725 0.72262 0.57856 1
C65 C 1 0.63727 0.83865 0.92457 1
C66 C 1 0.86078 0.78326 0.19931 1
C67 C 1 0.08184 0.66354 0.29823 1
C68 C 1 0.72261 0.57856 0.41725 1
C69 C 1 0.57856 0.41725 0.72261 1
C70 C 1 0.66354 0.29823 0.08184 1
C71 C 1 0.92456 0.63727 0.83865 1
C72 C 1 0.83865 0.92456 0.63727 1
C73 C 1 0.19931 0.86078 0.78326 1
C74 C 1 0.78326 0.19931 0.86078 1
C75 C 1 0.29823 0.08184 0.66354 1
C76 C 1 0.31942 0.08082 0.40120 1
C77 C 1 0.30473 0.40802 0.71876 1
C78 C 1 0.18488 0.58177 0.77023 1
C79 C 1 0.10038 0.17917 0.92419 1
C80 C 1 0.92419 0.10038 0.17916 1
C81 C 1 0.77023 0.18488 0.58178 1
C82 C 1 0.08083 0.40120 0.31942 1
C83 C 1 0.40121 0.31942 0.08083 1
C84 C 1 0.40802 0.71876 0.30473 1
C85 C 1 0.71876 0.30472 0.40802 1
C86 C 1 0.58177 0.77022 0.18488 1
C87 C 1 0.57581 0.32084 0.39962 1
C88 C 1 0.41917 0.18058 0.09880 1
C89 C 1 0.09198 0.19527 0.78124 1
C90 C 1 0.91823 0.31512 0.72978 1
C91 C 1 0.32084 0.39962 0.57581 1
C92 C 1 0.39962 0.57580 0.32084 1
C93 C 1 0.31512 0.72977 0.91823 1
C94 C 1 0.09880 0.41916 0.18059 1
C95 C 1 0.18059 0.09879 0.41916 1
C96 C 1 0.78124 0.09198 0.19527 1
C97 C 1 0.19527 0.78124 0.09198 1
C98 C 1 0.72977 0.91822 0.31512 1
C99 C 1 0.38719 0.13987 0.42417 1
C100 C 1 0.26807 0.34817 0.72626 1
C101 C 1 0.11749 0.53688 0.76203 1
C102 C 1 0.07709 0.21366 0.96969 1
C103 C 1 0.96969 0.07708 0.21366 1
C104 C 1 0.76203 0.11749 0.53688 1
C105 C 1 0.13987 0.42418 0.38719 1
C106 C 1 0.42418 0.38719 0.13988 1
C107 C 1 0.34817 0.72626 0.26807 1
C108 C 1 0.72626 0.26807 0.34817 1
C109 C 1 0.53688 0.76202 0.11749 1
C110 C 1 0.53030 0.28635 0.42291 1
C111 C 1 0.36013 0.11282 0.07583 1
C112 C 1 0.15183 0.23193 0.77374 1
C113 C 1 0.96312 0.38251 0.73798 1
C114 C 1 0.28635 0.42292 0.53031 1
C115 C 1 0.42291 0.53030 0.28635 1
C116 C 1 0.38251 0.73797 0.96312 1
C117 C 1 0.07583 0.36011 0.11282 1
C118 C 1 0.11282 0.07582 0.36012 1
C119 C 1 0.77374 0.15183 0.23193 1
C120 C 1 0.23192 0.77374 0.15183 1
C121 C 1 0.73797 0.96312 0.38252 1
C122 C 1 0.38537 0.14704 0.52438 1
C123 C 1 0.37402 0.35626 0.74227 1
C124 C 1 0.11318 0.63270 0.75789 1
C125 C 1 0.97732 0.12484 0.86482 1
C126 C 1 0.86483 0.97732 0.12484 1
C127 C 1 0.75789 0.11318 0.63270 1
C128 C 1 0.14703 0.52438 0.38537 1
C129 C 1 0.52438 0.38537 0.14704 1
C130 C 1 0.35626 0.74227 0.37401 1
C131 C 1 0.74227 0.37402 0.35626 1
C132 C 1 0.63269 0.75789 0.11318 1
C133 C 1 0.63517 0.37516 0.52268 1
C134 C 1 0.35297 0.11463 0.97562 1
C135 C 1 0.14374 0.12598 0.75773 1
C136 C 1 0.86730 0.38682 0.74211 1
C137 C 1 0.37516 0.52268 0.63517 1
C138 C 1 0.52268 0.63517 0.37516 1
C139 C 1 0.38682 0.74211 0.86730 1
C140 C 1 0.97562 0.35297 0.11463 1
C141 C 1 0.11463 0.97561 0.35297 1
C142 C 1 0.75773 0.14374 0.12598 1
C143 C 1 0.12598 0.75773 0.14374 1
C144 C 1 0.74211 0.86730 0.38682 1
N1 N 1 0.17984 0.93211 0.99966 1
N2 N 1 0.12167 0.85696 0.03613 1
N3 N 1 0.85400 0.12656 0.97064 1
N4 N 1 0.79884 0.06565 0.01974 1
N5 N 1 0.54626 0.78099 0.47815 1
N6 N 1 0.69947 0.71980 0.26625 1
N7 N 1 0.95190 0.43631 0.23607 1
N8 N 1 0.01974 0.79883 0.06566 1
N9 N 1 0.06566 0.01974 0.79884 1
N10 N 1 0.23607 0.95190 0.43631 1
N11 N 1 0.78100 0.47815 0.54626 1
N12 N 1 0.47815 0.54626 0.78100 1
N13 N 1 0.71980 0.26625 0.69948 1
N14 N 1 0.26625 0.69947 0.71980 1
N15 N 1 0.43631 0.23606 0.95190 1
N16 N 1 0.43434 0.70117 0.48026 1
N17 N 1 0.71901 0.95374 0.02185 1
N18 N 1 0.78020 0.80052 0.23375 1
N19 N 1 0.06369 0.54810 0.26393 1
N20 N 1 0.70117 0.48026 0.43434 1
N21 N 1 0.48026 0.43434 0.70117 1
N22 N 1 0.54810 0.26393 0.06369 1
N23 N 1 0.02185 0.71901 0.95374 1
N24 N 1 0.95374 0.02185 0.71900 1
N25 N 1 0.23375 0.78020 0.80052 1
N26 N 1 0.80052 0.23375 0.78020 1
N27 N 1 0.26394 0.06369 0.54810 1
N28 N 1 0.65376 0.88586 0.52280 1
N29 N 1 0.64080 0.61514 0.26987 1
N30 N 1 0.84457 0.37478 0.23451 1
N31 N 1 0.97064 0.85400 0.12656 1
N32 N 1 0.12656 0.97064 0.85400 1
N33 N 1 0.23452 0.84457 0.37478 1
N34 N 1 0.88586 0.52280 0.65376 1
N35 N 1 0.52280 0.65376 0.88587 1
N36 N 1 0.61514 0.26987 0.64080 1
N37 N 1 0.26986 0.64080 0.61514 1
N38 N 1 0.37478 0.23451 0.84457 1
N39 N 1 0.37344 0.64600 0.52936 1
N40 N 1 0.61414 0.84623 0.97721 1
N41 N 1 0.88485 0.85920 0.23013 1
N42 N 1 0.12522 0.65543 0.26549 1
N43 N 1 0.64600 0.52936 0.37344 1
N44 N 1 0.52936 0.37343 0.64600 1
N45 N 1 0.65543 0.26548 0.12522 1
N46 N 1 0.97720 0.61414 0.84623 1
N47 N 1 0.84623 0.97720 0.61414 1
N48 N 1 0.23013 0.88486 0.85920 1
N49 N 1 0.85920 0.23013 0.88486 1
N50 N 1 0.26549 0.12522 0.65543 1
N51 N 1 0.31854 0.08517 0.46572 1
N52 N 1 0.37275 0.41296 0.72876 1
N53 N 1 0.18204 0.64343 0.76758 1
N54 N 1 0.03613 0.12167 0.85696 1
N55 N 1 0.85696 0.03613 0.12167 1
N56 N 1 0.76758 0.18204 0.64344 1
N57 N 1 0.08516 0.46572 0.31854 1
N58 N 1 0.46572 0.31854 0.08517 1
N59 N 1 0.41296 0.72876 0.37275 1
N60 N 1 0.72876 0.37275 0.41296 1
N61 N 1 0.64343 0.76758 0.18204 1
N62 N 1 0.64304 0.37833 0.46387 1
N63 N 1 0.41484 0.18146 0.03428 1
N64 N 1 0.08704 0.12725 0.77124 1
N65 N 1 0.85657 0.31796 0.73242 1
N66 N 1 0.37833 0.46387 0.64304 1
N67 N 1 0.46387 0.64304 0.37833 1
N68 N 1 0.31796 0.73242 0.85657 1
N69 N 1 0.03428 0.41483 0.18146 1
N70 N 1 0.18146 0.03428 0.41483 1
N71 N 1 0.77124 0.08704 0.12725 1
N72 N 1 0.12725 0.77124 0.08704 1
N73 N 1 0.73242 0.85656 0.31796 1
N74 N 1 0.42854 0.18192 0.50173 1
N75 N 1 0.31177 0.31565 0.74111 1
N76 N 1 0.07238 0.56894 0.75434 1
N77 N 1 0.99966 0.17984 0.93210 1
N78 N 1 0.93211 0.99966 0.17984 1
N79 N 1 0.75434 0.07238 0.56894 1
N80 N 1 0.18192 0.50173 0.42854 1
N81 N 1 0.50173 0.42853 0.18192 1
N82 N 1 0.31566 0.74111 0.31177 1
N83 N 1 0.74111 0.31177 0.31566 1
N84 N 1 0.56893 0.75434 0.07238 1
N85 N 1 0.56789 0.32016 0.50034 1
N86 N 1 0.31808 0.07146 0.99827 1
N87 N 1 0.18435 0.18823 0.75889 1
N88 N 1 0.93106 0.42762 0.74566 1
N89 N 1 0.32016 0.50034 0.56789 1
N90 N 1 0.50034 0.56789 0.32016 1
N91 N 1 0.42762 0.74566 0.93106 1
N92 N 1 0.99827 0.31808 0.07147 1
N93 N 1 0.07147 0.99827 0.31808 1
N94 N 1 0.75889 0.18434 0.18823 1
N95 N 1 0.18823 0.75889 0.18434 1
N96 N 1 0.74566 0.93106 0.42762 1
#End of data

data_cag
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
cag/H-H 2.45/Li-N 2.05-2.07
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: cag.cif. 
;
_cell_length_a                      15.4903
_cell_length_b                      15.2429
_cell_length_c                      16.9199
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        3995.078
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.27803 0.57457 0.46685 1
H2 H 1 0.22197 0.42543 0.96685 1
H3 H 1 0.77803 0.92542 0.53315 1
H4 H 1 0.72197 0.07458 0.03315 1
H5 H 1 0.72197 0.42543 0.53315 1
H6 H 1 0.77803 0.57457 0.03315 1
H7 H 1 0.22197 0.07457 0.46685 1
H8 H 1 0.17540 0.57382 0.33106 1
H9 H 1 0.32460 0.42619 0.83106 1
H10 H 1 0.67540 0.92618 0.66894 1
H11 H 1 0.82460 0.07382 0.16895 1
H12 H 1 0.82460 0.42618 0.66894 1
H13 H 1 0.67540 0.57382 0.16894 1
H14 H 1 0.32460 0.07382 0.33106 1
H15 H 1 0.84182 0.58070 0.19960 1
H16 H 1 0.65818 0.41931 0.69960 1
H17 H 1 0.34181 0.91930 0.80040 1
H18 H 1 0.15819 0.08070 0.30040 1
H19 H 1 0.15819 0.41930 0.80040 1
H20 H 1 0.34182 0.58070 0.30040 1
H21 H 1 0.65818 0.08070 0.19960 1
H22 H 1 0.93227 0.49833 0.42285 1
H23 H 1 0.56773 0.50167 0.92285 1
H24 H 1 0.43227 0.00168 0.57716 1
H25 H 1 0.06773 0.99832 0.07716 1
H26 H 1 0.06773 0.50167 0.57716 1
H27 H 1 0.43227 0.49833 0.07716 1
H28 H 1 0.56773 0.99832 0.42285 1
H29 H 1 0.06042 0.57497 0.15790 1
H30 H 1 0.43958 0.42503 0.65790 1
H31 H 1 0.56042 0.92503 0.84211 1
H32 H 1 0.93958 0.07497 0.34211 1
H33 H 1 0.93958 0.42503 0.84211 1
H34 H 1 0.56042 0.57497 0.34211 1
H35 H 1 0.43958 0.07497 0.15790 1
H36 H 1 0.03398 0.68806 0.51757 1
H37 H 1 0.46602 0.31194 0.01757 1
H38 H 1 0.53398 0.81194 0.48243 1
H39 H 1 0.96602 0.18806 0.98243 1
H40 H 1 0.96602 0.31194 0.48243 1
H41 H 1 0.53398 0.68806 0.98243 1
H42 H 1 0.46602 0.18806 0.51757 1
H43 H 1 0.58111 0.83290 0.25381 1
H44 H 1 0.91889 0.16710 0.75382 1
H45 H 1 0.08111 0.66709 0.74619 1
H46 H 1 0.41889 0.33291 0.24619 1
H47 H 1 0.41889 0.16709 0.74619 1
H48 H 1 0.08111 0.83291 0.24619 1
H49 H 1 0.91889 0.33291 0.25382 1
H50 H 1 0.66288 0.67384 0.44551 1
H51 H 1 0.83712 0.32616 0.94551 1
H52 H 1 0.16288 0.82616 0.55450 1
H53 H 1 0.33712 0.17384 0.05449 1
H54 H 1 0.33712 0.32616 0.55450 1
H55 H 1 0.16288 0.67384 0.05449 1
H56 H 1 0.83712 0.17384 0.44551 1
H57 H 1 0.74636 0.92793 0.24340 1
H58 H 1 0.75364 0.07207 0.74341 1
H59 H 1 0.24636 0.57207 0.75660 1
H60 H 1 0.25365 0.42793 0.25660 1
H61 H 1 0.25364 0.07207 0.75660 1
H62 H 1 0.24636 0.92793 0.25660 1
H63 H 1 0.75365 0.42793 0.24340 1
H64 H 1 0.99549 0.88659 0.38315 1
H65 H 1 0.50450 0.11341 0.88315 1
H66 H 1 0.49549 0.61341 0.61685 1
H67 H 1 0.00451 0.38659 0.11686 1
H68 H 1 0.00451 0.11341 0.61686 1
H69 H 1 0.49549 0.88659 0.11685 1
H70 H 1 0.50451 0.38659 0.38315 1
H71 H 1 0.83714 0.97049 0.40533 1
H72 H 1 0.66285 0.02951 0.90533 1
H73 H 1 0.33715 0.52951 0.59468 1
H74 H 1 0.16285 0.47049 0.09467 1
H75 H 1 0.16285 0.02951 0.59468 1
H76 H 1 0.33715 0.97049 0.09467 1
H77 H 1 0.66286 0.47049 0.40533 1
H78 H 1 0.79564 0.70108 0.35499 1
H79 H 1 0.70436 0.29892 0.85499 1
H80 H 1 0.29564 0.79892 0.64502 1
H81 H 1 0.20436 0.20108 0.14501 1
H82 H 1 0.20436 0.29892 0.64502 1
H83 H 1 0.29564 0.70108 0.14501 1
H84 H 1 0.70436 0.20108 0.35499 1
H85 H 1 0.79564 0.79892 0.85499 1
H86 H 1 0.83715 0.52951 0.90533 1
H87 H 1 0.99549 0.61341 0.88315 1
H88 H 1 0.74635 0.57207 0.74340 1
H89 H 1 0.66288 0.82616 0.94551 1
H90 H 1 0.58111 0.66710 0.75381 1
H91 H 1 0.03398 0.81194 0.01757 1
H92 H 1 0.06042 0.92503 0.65790 1
H93 H 1 0.93227 0.00168 0.92285 1
H94 H 1 0.84181 0.91931 0.69960 1
H95 H 1 0.17540 0.92618 0.83106 1
H96 H 1 0.27803 0.92542 0.96685 1
Li1 Li 1 0.98920 0.66695 0.32598 1
Li2 Li 1 0.51080 0.16695 0.32598 1
Li3 Li 1 0.01080 0.33305 0.67402 1
Li4 Li 1 0.01081 0.16695 0.17402 1
Li5 Li 1 0.48920 0.66695 0.17402 1
Li6 Li 1 0.98919 0.83305 0.82598 1
Li7 Li 1 0.48920 0.83305 0.67402 1
Li8 Li 1 0.51081 0.33305 0.82598 1
B1 B 1 0.81120 0.35476 0.39353 1
B2 B 1 0.18880 0.85476 0.10648 1
B3 B 1 0.18880 0.64524 0.60648 1
B4 B 1 0.68880 0.85476 0.39353 1
B5 B 1 0.31120 0.14524 0.60648 1
B6 B 1 0.31120 0.35476 0.10648 1
B7 B 1 0.81120 0.14524 0.89353 1
B8 B 1 0.68880 0.64524 0.89352 1
C1 C 1 0.21193 0.59657 0.45750 1
C2 C 1 0.28808 0.40344 0.95750 1
C3 C 1 0.71193 0.90343 0.54251 1
C4 C 1 0.78807 0.09657 0.04251 1
C5 C 1 0.78807 0.40343 0.54251 1
C6 C 1 0.71193 0.59657 0.04250 1
C7 C 1 0.28807 0.09657 0.45750 1
C8 C 1 0.16026 0.59673 0.39059 1
C9 C 1 0.33974 0.40327 0.89059 1
C10 C 1 0.66026 0.90327 0.60941 1
C11 C 1 0.83974 0.09673 0.10942 1
C12 C 1 0.83974 0.40327 0.60941 1
C13 C 1 0.66026 0.59673 0.10941 1
C14 C 1 0.33974 0.09673 0.39059 1
C15 C 1 0.84843 0.54061 0.25273 1
C16 C 1 0.65157 0.45940 0.75273 1
C17 C 1 0.34843 0.95939 0.74727 1
C18 C 1 0.15157 0.04061 0.24727 1
C19 C 1 0.15157 0.45939 0.74727 1
C20 C 1 0.34843 0.54061 0.24727 1
C21 C 1 0.65157 0.04061 0.25273 1
C22 C 1 0.89625 0.50092 0.36748 1
C23 C 1 0.60376 0.49908 0.86748 1
C24 C 1 0.39624 0.99909 0.63252 1
C25 C 1 0.10376 0.00091 0.13252 1
C26 C 1 0.10376 0.49909 0.63252 1
C27 C 1 0.39625 0.50092 0.13252 1
C28 C 1 0.60375 0.00091 0.36748 1
C29 C 1 0.08013 0.64362 0.16145 1
C30 C 1 0.41987 0.35638 0.66145 1
C31 C 1 0.58013 0.85638 0.83855 1
C32 C 1 0.91988 0.14362 0.33856 1
C33 C 1 0.91987 0.35638 0.83855 1
C34 C 1 0.58013 0.64362 0.33855 1
C35 C 1 0.41987 0.14362 0.16145 1
C36 C 1 0.08552 0.65594 0.48449 1
C37 C 1 0.41448 0.34406 0.98449 1
C38 C 1 0.58552 0.84406 0.51551 1
C39 C 1 0.91448 0.15594 0.01551 1
C40 C 1 0.91448 0.34406 0.51551 1
C41 C 1 0.58552 0.65594 0.01551 1
C42 C 1 0.41447 0.15595 0.48449 1
C43 C 1 0.58923 0.77493 0.29090 1
C44 C 1 0.91077 0.22506 0.79091 1
C45 C 1 0.08923 0.72506 0.70910 1
C46 C 1 0.41077 0.27494 0.20910 1
C47 C 1 0.41077 0.22506 0.70910 1
C48 C 1 0.08923 0.77494 0.20910 1
C49 C 1 0.91077 0.27494 0.29091 1
C50 C 1 0.63154 0.69148 0.39007 1
C51 C 1 0.86846 0.30852 0.89007 1
C52 C 1 0.13154 0.80852 0.60993 1
C53 C 1 0.36846 0.19148 0.10993 1
C54 C 1 0.36846 0.30852 0.60993 1
C55 C 1 0.13154 0.69148 0.10993 1
C56 C 1 0.86846 0.19148 0.39007 1
C57 C 1 0.69602 0.96499 0.27358 1
C58 C 1 0.80398 0.03501 0.77358 1
C59 C 1 0.19602 0.53501 0.72643 1
C60 C 1 0.30398 0.46499 0.22643 1
C61 C 1 0.30398 0.03501 0.72643 1
C62 C 1 0.19602 0.96499 0.22643 1
C63 C 1 0.80398 0.46499 0.27358 1
C64 C 1 0.93033 0.85934 0.38116 1
C65 C 1 0.56967 0.14066 0.88116 1
C66 C 1 0.43033 0.64066 0.61885 1
C67 C 1 0.06967 0.35934 0.11885 1
C68 C 1 0.06967 0.14066 0.61885 1
C69 C 1 0.43033 0.85934 0.11885 1
C70 C 1 0.56967 0.35934 0.38116 1
C71 C 1 0.85232 0.90200 0.39325 1
C72 C 1 0.64768 0.09800 0.89325 1
C73 C 1 0.35232 0.59800 0.60675 1
C74 C 1 0.14768 0.40200 0.10675 1
C75 C 1 0.14768 0.09800 0.60675 1
C76 C 1 0.35232 0.90200 0.10675 1
C77 C 1 0.64768 0.40200 0.39325 1
C78 C 1 0.82958 0.76242 0.36666 1
C79 C 1 0.67042 0.23758 0.86666 1
C80 C 1 0.32958 0.73758 0.63334 1
C81 C 1 0.17043 0.26242 0.13334 1
C82 C 1 0.17042 0.23758 0.63334 1
C83 C 1 0.32958 0.76242 0.13334 1
C84 C 1 0.67043 0.26242 0.36666 1
C85 C 1 0.82957 0.73758 0.86666 1
C86 C 1 0.85232 0.59800 0.89325 1
C87 C 1 0.93033 0.64066 0.88116 1
C88 C 1 0.69602 0.53501 0.77357 1
C89 C 1 0.63154 0.80852 0.89007 1
C90 C 1 0.58923 0.72507 0.79090 1
C91 C 1 0.08552 0.84405 0.98449 1
C92 C 1 0.08013 0.85638 0.66145 1
C93 C 1 0.89625 0.99909 0.86748 1
C94 C 1 0.84843 0.95940 0.75274 1
C95 C 1 0.16026 0.90327 0.89059 1
C96 C 1 0.21193 0.90343 0.95750 1
N1 N 1 0.90621 0.56289 0.31210 1
N2 N 1 0.59380 0.43711 0.81209 1
N3 N 1 0.40620 0.93711 0.68791 1
N4 N 1 0.09380 0.06289 0.18790 1
N5 N 1 0.09380 0.43711 0.68791 1
N6 N 1 0.40620 0.56289 0.18790 1
N7 N 1 0.59380 0.06289 0.31210 1
N8 N 1 0.05377 0.69649 0.22357 1
N9 N 1 0.44624 0.30351 0.72357 1
N10 N 1 0.55376 0.80351 0.77643 1
N11 N 1 0.94624 0.19649 0.27643 1
N12 N 1 0.94623 0.30351 0.77643 1
N13 N 1 0.55377 0.69649 0.27643 1
N14 N 1 0.44624 0.19649 0.22357 1
N15 N 1 0.08095 0.63423 0.40793 1
N16 N 1 0.41906 0.36577 0.90793 1
N17 N 1 0.58094 0.86577 0.59207 1
N18 N 1 0.91906 0.13423 0.09207 1
N19 N 1 0.91906 0.36577 0.59207 1
N20 N 1 0.58095 0.63423 0.09207 1
N21 N 1 0.41906 0.13423 0.40793 1
N22 N 1 0.63736 0.77598 0.35907 1
N23 N 1 0.86264 0.22402 0.85907 1
N24 N 1 0.13736 0.72402 0.64094 1
N25 N 1 0.36265 0.27598 0.14093 1
N26 N 1 0.36264 0.22402 0.64094 1
N27 N 1 0.13736 0.77598 0.14094 1
N28 N 1 0.86264 0.27598 0.35907 1
N29 N 1 0.66520 0.93991 0.34754 1
N30 N 1 0.83480 0.06009 0.84754 1
N31 N 1 0.16520 0.56009 0.65246 1
N32 N 1 0.33480 0.43991 0.15246 1
N33 N 1 0.33480 0.06009 0.65246 1
N34 N 1 0.16520 0.93991 0.15246 1
N35 N 1 0.83480 0.43991 0.34754 1
N36 N 1 0.66393 0.86494 0.48223 1
N37 N 1 0.83607 0.13506 0.98223 1
N38 N 1 0.16393 0.63506 0.51777 1
N39 N 1 0.33607 0.36494 0.01777 1
N40 N 1 0.33607 0.13506 0.51777 1
N41 N 1 0.16393 0.86493 0.01777 1
N42 N 1 0.83607 0.36494 0.48223 1
N43 N 1 0.91558 0.77162 0.36422 1
N44 N 1 0.58442 0.22838 0.86422 1
N45 N 1 0.41558 0.72838 0.63578 1
N46 N 1 0.08443 0.27162 0.13578 1
N47 N 1 0.08442 0.22838 0.63578 1
N48 N 1 0.41558 0.77162 0.13578 1
N49 N 1 0.58443 0.27162 0.36422 1
N50 N 1 0.78764 0.83939 0.38402 1
N51 N 1 0.71236 0.16061 0.88402 1
N52 N 1 0.28764 0.66061 0.61598 1
N53 N 1 0.21237 0.33939 0.11598 1
N54 N 1 0.21236 0.16061 0.61598 1
N55 N 1 0.28764 0.83938 0.11598 1
N56 N 1 0.71237 0.33939 0.38402 1
N57 N 1 0.78764 0.66062 0.88402 1
N58 N 1 0.91558 0.72838 0.86422 1
N59 N 1 0.66393 0.63506 0.98223 1
N60 N 1 0.66520 0.56009 0.84754 1
N61 N 1 0.63736 0.72402 0.85907 1
N62 N 1 0.08094 0.86577 0.90793 1
N63 N 1 0.05377 0.80351 0.72357 1
N64 N 1 0.90620 0.93711 0.81210 1
#End of data

data_cfc
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
cfc/H-H 2.38/Li-N 2.04-2.14
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: cfc.cif. 
;
_cell_length_a                      9.0032
_cell_length_b                      8.8598
_cell_length_c                      30.1721
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   118.07
_cell_volume                        2123.629
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.78498 0.00000 0.99605 1
H2 H 1 0.19217 0.92616 0.03925 1
H3 H 1 0.17251 0.90019 0.94721 1
H4 H 1 0.21509 0.00000 0.49604 1
H5 H 1 0.80788 0.07380 0.53925 1
H6 H 1 0.82754 0.09978 0.44721 1
H7 H 1 0.54133 0.77887 0.22646 1
H8 H 1 0.01024 0.49933 0.21251 1
H9 H 1 0.09647 0.52445 0.30202 1
H10 H 1 0.45871 0.22109 0.72647 1
H11 H 1 0.98981 0.50067 0.71251 1
H12 H 1 0.90358 0.47555 0.80202 1
H13 H 1 0.64415 0.72156 0.14399 1
H14 H 1 0.72034 0.21187 0.10676 1
H15 H 1 0.38166 0.01037 0.12629 1
H16 H 1 0.74427 0.69696 0.83314 1
H17 H 1 0.65262 0.67687 0.97160 1
H18 H 1 0.43220 0.36499 0.93279 1
H19 H 1 0.15539 0.22435 0.86603 1
H20 H 1 0.00400 0.69285 0.87338 1
H21 H 1 0.31015 0.86032 0.82913 1
H22 H 1 0.61649 0.93243 0.85798 1
H23 H 1 0.00987 0.27542 0.94147 1
H24 H 1 0.82477 0.43240 0.91018 1
H25 H 1 0.38358 0.06757 0.35798 1
H26 H 1 0.99018 0.72455 0.44146 1
H27 H 1 0.17528 0.56757 0.41017 1
H28 H 1 0.84468 0.77562 0.36603 1
H29 H 1 0.99603 0.30712 0.37338 1
H30 H 1 0.68991 0.13965 0.32912 1
H31 H 1 0.25578 0.30301 0.33314 1
H32 H 1 0.34743 0.32311 0.47159 1
H33 H 1 0.56785 0.63499 0.43278 1
H34 H 1 0.13999 0.87128 0.17468 1
H35 H 1 0.82747 0.59921 0.06745 1
H36 H 1 0.05775 0.47747 0.08254 1
H37 H 1 0.35590 0.27841 0.64400 1
H38 H 1 0.27971 0.78811 0.60676 1
H39 H 1 0.61839 0.98960 0.62630 1
H40 H 1 0.86006 0.12870 0.67469 1
H41 H 1 0.17256 0.40075 0.56745 1
H42 H 1 0.94228 0.52250 0.58254 1
H43 H 1 0.87957 0.70091 0.67663 1
H44 H 1 0.69676 0.74744 0.55126 1
H45 H 1 0.55582 0.40150 0.57320 1
H46 H 1 0.12047 0.29907 0.17662 1
H47 H 1 0.30330 0.25252 0.05126 1
H48 H 1 0.44422 0.59847 0.07320 1
Li1 Li 1 0.95672 0.99277 0.10081 1
Li2 Li 1 0.46971 0.72843 0.33734 1
Li3 Li 1 0.53034 0.27155 0.83735 1
Li4 Li 1 0.04332 0.00722 0.60081 1
B1 B 1 0.29767 0.65839 0.15337 1
B2 B 1 0.88848 0.92647 0.90959 1
B3 B 1 0.11158 0.07351 0.40959 1
B4 B 1 0.70238 0.34158 0.65337 1
C1 C 1 0.89268 0.97498 0.99607 1
C2 C 1 0.10360 0.93864 0.01677 1
C3 C 1 0.09518 0.92443 0.97101 1
C4 C 1 0.10738 0.02500 0.49607 1
C5 C 1 0.89645 0.06133 0.51677 1
C6 C 1 0.90487 0.07554 0.47101 1
C7 C 1 0.40888 0.70477 0.23551 1
C8 C 1 0.13279 0.55873 0.22872 1
C9 C 1 0.17790 0.57224 0.27301 1
C10 C 1 0.59117 0.29520 0.73552 1
C11 C 1 0.86726 0.44126 0.72872 1
C12 C 1 0.82215 0.42775 0.77301 1
C13 C 1 0.61996 0.82858 0.13660 1
C14 C 1 0.65465 0.07838 0.11735 1
C15 C 1 0.48534 0.97954 0.12719 1
C16 C 1 0.68633 0.64754 0.86532 1
C17 C 1 0.63728 0.63546 0.93715 1
C18 C 1 0.52850 0.48147 0.91732 1
C19 C 1 0.15785 0.10323 0.86166 1
C20 C 1 0.08016 0.82753 0.86518 1
C21 C 1 0.23324 0.91310 0.84350 1
C22 C 1 0.69792 0.04964 0.87587 1
C23 C 1 0.90252 0.22889 0.91905 1
C24 C 1 0.81024 0.30555 0.90282 1
C25 C 1 0.30214 0.95035 0.37587 1
C26 C 1 0.09753 0.77108 0.41905 1
C27 C 1 0.18982 0.69443 0.40281 1
C28 C 1 0.84221 0.89674 0.36165 1
C29 C 1 0.91988 0.17244 0.36518 1
C30 C 1 0.76681 0.08687 0.34349 1
C31 C 1 0.31372 0.35244 0.36531 1
C32 C 1 0.36277 0.36452 0.43715 1
C33 C 1 0.47155 0.51851 0.41731 1
C34 C 1 0.08462 0.78175 0.14723 1
C35 C 1 0.92594 0.63804 0.09253 1
C36 C 1 0.03971 0.57625 0.09947 1
C37 C 1 0.38008 0.17140 0.63661 1
C38 C 1 0.34540 0.92160 0.61735 1
C39 C 1 0.51470 0.02043 0.62719 1
C40 C 1 0.91542 0.21822 0.64723 1
C41 C 1 0.07409 0.36193 0.59253 1
C42 C 1 0.96033 0.42372 0.59947 1
C43 C 1 0.81015 0.66935 0.64541 1
C44 C 1 0.71373 0.68747 0.58106 1
C45 C 1 0.64240 0.51515 0.59144 1
C46 C 1 0.18990 0.33063 0.14541 1
C47 C 1 0.28633 0.31250 0.08106 1
C48 C 1 0.35765 0.48482 0.09144 1
N1 N 1 0.97601 0.97044 0.03241 1
N2 N 1 0.95962 0.94807 0.95769 1
N3 N 1 0.02405 0.02953 0.53240 1
N4 N 1 0.04043 0.05190 0.45769 1
N5 N 1 0.28161 0.64472 0.20469 1
N6 N 1 0.35159 0.66422 0.27710 1
N7 N 1 0.71843 0.35526 0.70469 1
N8 N 1 0.64846 0.33576 0.77710 1
N9 N 1 0.73859 0.98272 0.12313 1
N10 N 1 0.46312 0.81852 0.13936 1
N11 N 1 0.73942 0.74210 0.90373 1
N12 N 1 0.56047 0.48927 0.87218 1
N13 N 1 0.03090 0.95003 0.87654 1
N14 N 1 0.28198 0.08648 0.84153 1
N15 N 1 0.82915 0.06345 0.90191 1
N16 N 1 0.68191 0.19251 0.87556 1
N17 N 1 0.17090 0.93653 0.40190 1
N18 N 1 0.31816 0.80748 0.37555 1
N19 N 1 0.96915 0.04994 0.37654 1
N20 N 1 0.71808 0.91349 0.34152 1
N21 N 1 0.26063 0.25787 0.40373 1
N22 N 1 0.43958 0.51071 0.37217 1
N23 N 1 0.95563 0.76844 0.12237 1
N24 N 1 0.14161 0.66913 0.13470 1
N25 N 1 0.26145 0.01726 0.62313 1
N26 N 1 0.53692 0.18145 0.63937 1
N27 N 1 0.04441 0.23153 0.62237 1
N28 N 1 0.85844 0.33085 0.63470 1
N29 N 1 0.82046 0.78422 0.61499 1
N30 N 1 0.70343 0.50380 0.63307 1
N31 N 1 0.17960 0.21575 0.11499 1
N32 N 1 0.29661 0.49618 0.13307 1
#End of data

data_coi
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
coi/H-H 2.13/Li-N 2.02-2.14
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: tetranod.cif. 
;
_cell_length_a                      16.9504
_cell_length_b                      17.0202
_cell_length_c                      17.0022
_cell_angle_alpha                   97.83
_cell_angle_beta                    97.46
_cell_angle_gamma                   137.35
_cell_volume                        3092.93
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.72637 0.70475 0.42741 1
H2 H 1 0.57943 0.06836 0.07086 1
H3 H 1 0.42751 0.82557 0.97934 1
H4 H 1 0.60502 0.52242 0.50057 1
H5 H 1 0.60597 0.91234 0.23010 1
H6 H 1 0.60666 0.39572 0.27027 1
H7 H 1 0.11428 0.90012 0.44147 1
H8 H 1 0.82900 0.18266 0.13436 1
H9 H 1 0.99321 0.41263 0.11453 1
H10 H 1 0.26000 0.05133 0.35108 1
H11 H 1 0.81662 0.39719 0.27617 1
H12 H 1 0.45592 0.25918 0.61148 1
H13 H 1 0.38677 0.03203 0.53740 1
H14 H 1 0.94337 0.65426 0.72695 1
H15 H 1 0.46848 0.95281 0.60206 1
H16 H 1 0.78262 0.58282 0.58033 1
H17 H 1 0.23264 0.88432 0.72563 1
H18 H 1 0.68739 0.27511 0.58850 1
H19 H 1 0.19348 0.13369 0.70774 1
H20 H 1 0.44300 0.95044 0.22166 1
H21 H 1 0.36646 0.30808 0.86849 1
H22 H 1 0.36887 0.01343 0.32178 1
H23 H 1 0.47543 0.17390 0.76225 1
H24 H 1 0.75333 0.33001 0.37590 1
H25 H 1 0.94723 0.37876 0.61794 1
H26 H 1 0.08101 0.20058 0.07201 1
H27 H 1 0.12764 0.00438 0.92742 1
H28 H 1 0.43023 0.72580 0.24360 1
H29 H 1 0.93540 0.67832 0.20437 1
H30 H 1 0.46333 0.72375 0.79968 1
H31 H 1 0.70692 0.05748 0.68323 1
H32 H 1 0.77003 0.95283 0.14794 1
H33 H 1 0.79885 0.61998 0.85665 1
H34 H 1 0.43721 0.49597 0.12801 1
H35 H 1 0.05325 0.68018 0.43988 1
H36 H 1 0.25000 0.61668 0.55665 1
H37 H 1 0.73791 0.22756 0.78204 1
H38 H 1 0.70423 0.98529 0.00925 1
H39 H 1 0.97274 0.69367 0.99364 1
H40 H 1 0.41091 0.47211 0.28437 1
H41 H 1 0.87396 0.65931 0.43890 1
H42 H 1 0.23610 0.44301 0.55781 1
H43 H 1 0.68905 0.10819 0.41165 1
H44 H 1 0.02647 0.93856 0.08443 1
H45 H 1 0.85307 0.94129 0.91526 1
H46 H 1 0.19488 0.53381 0.24291 1
H47 H 1 0.69801 0.44302 0.16074 1
H48 H 1 0.25616 0.48652 0.84441 1
H49 H 1 0.99845 0.19875 0.41563 1
H50 H 1 0.33299 0.24910 0.30167 1
H51 H 1 0.95461 0.03250 0.70111 1
H52 H 1 0.27966 0.79650 0.43177 1
H53 H 1 0.60466 0.53560 0.98342 1
H54 H 1 0.60901 0.70743 0.01469 1
H55 H 1 0.92135 0.21051 0.26839 1
H56 H 1 0.40304 0.17135 0.21309 1
H57 H 1 0.96926 0.19413 0.79020 1
H58 H 1 0.43021 0.78545 0.49477 1
H59 H 1 0.69112 0.68499 0.14524 1
H60 H 1 0.59380 0.62596 0.85404 1
H61 H 1 0.63709 0.85671 0.38653 1
H62 H 1 0.00057 0.88842 0.28359 1
H63 H 1 0.59700 0.70833 0.69968 1
H64 H 1 0.11997 0.54569 0.71908 1
H65 H 1 0.15041 0.37030 0.07721 1
H66 H 1 0.29293 0.06914 0.92298 1
H67 H 1 0.71105 0.91061 0.64687 1
H68 H 1 0.80757 0.95573 0.30081 1
H69 H 1 0.66482 0.51542 0.70867 1
H70 H 1 0.29472 0.88206 0.88093 1
H71 H 1 0.16529 0.54595 0.91642 1
H72 H 1 0.63105 0.24593 0.08493 1
H73 H 1 0.04483 0.69489 0.86458 1
H74 H 1 0.93311 0.29615 0.85157 1
H75 H 1 0.44506 0.07942 0.14917 1
H76 H 1 0.47396 0.66768 0.55754 1
H77 H 1 0.66144 0.71974 0.30603 1
H78 H 1 0.42547 0.36576 0.71086 1
H79 H 1 0.12335 0.34842 0.71955 1
H80 H 1 0.14648 0.37489 0.28777 1
H81 H 1 0.10223 0.87883 0.72650 1
H82 H 1 0.67669 0.37194 0.77024 1
H83 H 1 0.66029 0.92759 0.80546 1
H84 H 1 0.12570 0.85460 0.19565 1
H85 H 1 0.02239 0.09635 0.50726 1
H86 H 1 0.27379 0.27431 0.41920 1
H87 H 1 0.84747 0.83759 0.57836 1
H88 H 1 0.84863 0.44768 0.01936 1
H89 H 1 0.57646 0.09504 0.89668 1
H90 H 1 0.19749 0.67693 0.09971 1
H91 H 1 0.99971 0.51188 0.92586 1
H92 H 1 0.82094 0.24776 0.98634 1
H93 H 1 0.25969 0.83139 0.01124 1
H94 H 1 0.27844 0.28920 0.58469 1
H95 H 1 0.45752 0.53016 0.47810 1
H96 H 1 0.03769 0.95014 0.51264 1
Li1 Li 1 0.55660 0.30108 0.44447 1
Li2 Li 1 0.08311 0.63908 0.24743 1
Li3 Li 1 0.39161 0.83481 0.74962 1
Li4 Li 1 0.39319 0.64341 0.05653 1
Li5 Li 1 0.58482 0.33193 0.94525 1
Li6 Li 1 0.85668 0.11719 0.55278 1
Li7 Li 1 0.05163 0.10631 0.24196 1
Li8 Li 1 0.86594 0.81020 0.75947 1
B1 B 1 0.24344 0.02051 0.62362 1
B2 B 1 0.70557 0.14832 0.24893 1
B3 B 1 0.89683 0.45776 0.74912 1
B4 B 1 0.89938 0.14805 0.94060 1
B5 B 1 0.20708 0.95602 0.05985 1
B6 B 1 0.39756 0.61763 0.37542 1
B7 B 1 0.77079 0.64701 0.28011 1
B8 B 1 0.36949 0.49227 0.72072 1
C1 C 1 0.68213 0.61313 0.40501 1
C2 C 1 0.56206 0.00000 0.09063 1
C3 C 1 0.48600 0.87819 0.04594 1
C4 C 1 0.62234 0.52170 0.44098 1
C5 C 1 0.57538 0.91895 0.17360 1
C6 C 1 0.62052 0.45323 0.32323 1
C7 C 1 0.20504 0.99761 0.46307 1
C8 C 1 0.85182 0.26152 0.16177 1
C9 C 1 0.93205 0.37588 0.15186 1
C10 C 1 0.28005 0.07280 0.41924 1
C11 C 1 0.84286 0.37065 0.23476 1
C12 C 1 0.38293 0.18337 0.55203 1
C13 C 1 0.36670 0.99009 0.58602 1
C14 C 1 0.86629 0.56490 0.67674 1
C15 C 1 0.40586 0.94914 0.61836 1
C16 C 1 0.78496 0.52745 0.60304 1
C17 C 1 0.28563 0.91340 0.68303 1
C18 C 1 0.73373 0.36804 0.60512 1
C19 C 1 0.27806 0.16870 0.74267 1
C20 C 1 0.49670 0.03885 0.26777 1
C21 C 1 0.36473 0.25484 0.82265 1
C22 C 1 0.46093 0.07212 0.31793 1
C23 C 1 0.42486 0.19001 0.76982 1
C24 C 1 0.65769 0.23637 0.34606 1
C25 C 1 0.88872 0.31497 0.65050 1
C26 C 1 0.98862 0.14013 0.07594 1
C27 C 1 0.06228 0.90877 0.92459 1
C28 C 1 0.43146 0.66207 0.23298 1
C29 C 1 0.94674 0.67928 0.26927 1
C30 C 1 0.40544 0.67356 0.73303 1
C31 C 1 0.76356 0.15083 0.68435 1
C32 C 1 0.82697 0.01130 0.11239 1
C33 C 1 0.89440 0.71201 0.89065 1
C34 C 1 0.43200 0.54119 0.17511 1
C35 C 1 0.00285 0.67740 0.39004 1
C36 C 1 0.29340 0.61435 0.60811 1
C37 C 1 0.77789 0.23481 0.73412 1
C38 C 1 0.79249 0.02625 0.04288 1
C39 C 1 0.98018 0.74753 0.95955 1
C40 C 1 0.41916 0.52846 0.25287 1
C41 C 1 0.91353 0.66677 0.39054 1
C42 C 1 0.28592 0.52739 0.60748 1
C43 C 1 0.76353 0.13443 0.39386 1
C44 C 1 0.11898 0.01315 0.13229 1
C45 C 1 0.88242 0.98676 0.86824 1
C46 C 1 0.23713 0.60353 0.30285 1
C47 C 1 0.68313 0.48733 0.13352 1
C48 C 1 0.35021 0.53545 0.86930 1
C49 C 1 0.92164 0.18099 0.39371 1
C50 C 1 0.27770 0.17184 0.24301 1
C51 C 1 0.93491 0.03612 0.75920 1
C52 C 1 0.28341 0.73917 0.40097 1
C53 C 1 0.63692 0.53763 0.04441 1
C54 C 1 0.53184 0.64815 0.95515 1
C55 C 1 0.88460 0.18759 0.31986 1
C56 C 1 0.31454 0.13446 0.19945 1
C57 C 1 0.94264 0.11763 0.80289 1
C58 C 1 0.35903 0.73481 0.43338 1
C59 C 1 0.67973 0.61280 0.12449 1
C60 C 1 0.52585 0.60887 0.87527 1
C61 C 1 0.62699 0.83938 0.44596 1
C62 C 1 0.92928 0.87649 0.28967 1
C63 C 1 0.58382 0.63550 0.70084 1
C64 C 1 0.13409 0.61241 0.76089 1
C65 C 1 0.12351 0.38487 0.02467 1
C66 C 1 0.36031 0.09528 0.97586 1
C67 C 1 0.66046 0.86364 0.57890 1
C68 C 1 0.82652 0.90661 0.29754 1
C69 C 1 0.61540 0.53410 0.70718 1
C70 C 1 0.22108 0.78358 0.84394 1
C71 C 1 0.12840 0.47220 0.94086 1
C72 C 1 0.53237 0.18465 0.06023 1
C73 C 1 0.09678 0.69183 0.83590 1
C74 C 1 0.01281 0.34794 0.90728 1
C75 C 1 0.44126 0.10321 0.09360 1
C76 C 1 0.54413 0.74173 0.53538 1
C77 C 1 0.75434 0.79061 0.30269 1
C78 C 1 0.49505 0.45721 0.70557 1
C79 C 1 0.12927 0.30320 0.67331 1
C80 C 1 0.20429 0.38031 0.33199 1
C81 C 1 0.05582 0.87892 0.67574 1
C82 C 1 0.74228 0.39987 0.82612 1
C83 C 1 0.66827 0.99223 0.84216 1
C84 C 1 0.15166 0.82450 0.15761 1
C85 C 1 0.08098 0.17701 0.56423 1
C86 C 1 0.27309 0.33255 0.40012 1
C87 C 1 0.92832 0.86116 0.59928 1
C88 C 1 0.83310 0.43961 0.95287 1
C89 C 1 0.62888 0.08078 0.89068 1
C90 C 1 0.18971 0.73558 0.10678 1
C91 C 1 0.91007 0.47277 0.90721 1
C92 C 1 0.75147 0.15854 0.93584 1
C93 C 1 0.22183 0.81272 0.06218 1
C94 C 1 0.20876 0.27210 0.60259 1
C95 C 1 0.36515 0.46032 0.43098 1
C96 C 1 0.02211 0.91667 0.56556 1
N1 N 1 0.67975 0.56847 0.32856 1
N2 N 1 0.61966 0.02622 0.17268 1
N3 N 1 0.49440 0.82728 0.09843 1
N4 N 1 0.58464 0.42143 0.38955 1
N5 N 1 0.27066 0.06939 0.54855 1
N6 N 1 0.79395 0.25780 0.21501 1
N7 N 1 0.92608 0.44420 0.19778 1
N8 N 1 0.39244 0.18927 0.47545 1
N9 N 1 0.28907 0.96714 0.62773 1
N10 N 1 0.83380 0.46266 0.67796 1
N11 N 1 0.20716 0.65672 0.31873 1
N12 N 1 0.70149 0.40348 0.55823 1
N13 N 1 0.31728 0.12739 0.70902 1
N14 N 1 0.62329 0.14497 0.28516 1
N15 N 1 0.02331 0.68522 0.31365 1
N16 N 1 0.56218 0.19654 0.36674 1
N17 N 1 0.83381 0.20174 0.63215 1
N18 N 1 0.95049 0.08350 0.13329 1
N19 N 1 0.94649 0.81345 0.86851 1
N20 N 1 0.36883 0.70603 0.68709 1
N21 N 1 0.43964 0.62524 0.16297 1
N22 N 1 0.45678 0.26792 0.83926 1
N23 N 1 0.85964 0.34114 0.71303 1
N24 N 1 0.89700 0.11031 0.01989 1
N25 N 1 0.08888 0.87412 0.98091 1
N26 N 1 0.41831 0.60605 0.28973 1
N27 N 1 0.87736 0.66759 0.31254 1
N28 N 1 0.35797 0.56585 0.68801 1
N29 N 1 0.84505 0.14724 0.43993 1
N30 N 1 0.15455 0.09512 0.20067 1
N31 N 1 0.89679 0.95384 0.80046 1
N32 N 1 0.35455 0.90084 0.67935 1
N33 N 1 0.42110 0.60169 0.95116 1
N34 N 1 0.63953 0.45908 0.05040 1
N35 N 1 0.78341 0.15830 0.32015 1
N36 N 1 0.21276 0.03282 0.12807 1
N37 N 1 0.90943 0.08627 0.87317 1
N38 N 1 0.32960 0.64773 0.37010 1
N39 N 1 0.70996 0.58076 0.18199 1
N40 N 1 0.40864 0.53613 0.81971 1
N41 N 1 0.71191 0.92490 0.52235 1
N42 N 1 0.93620 0.96002 0.28883 1
N43 N 1 0.67137 0.64669 0.70501 1
N44 N 1 0.24413 0.73318 0.79670 1
N45 N 1 0.19776 0.49506 0.01469 1
N46 N 1 0.48107 0.17926 0.98614 1
N47 N 1 0.04068 0.58142 0.78259 1
N48 N 1 0.00936 0.29167 0.96137 1
N49 N 1 0.33018 0.04521 0.03917 1
N50 N 1 0.52330 0.72579 0.44967 1
N51 N 1 0.82130 0.77186 0.29861 1
N52 N 1 0.47415 0.52190 0.70023 1
N53 N 1 0.03139 0.19759 0.60875 1
N54 N 1 0.17228 0.28250 0.33703 1
N55 N 1 0.95044 0.83823 0.66906 1
N56 N 1 0.72737 0.39350 0.90157 1
N57 N 1 0.57671 0.97605 0.83182 1
N58 N 1 0.14527 0.74299 0.16667 1
N59 N 1 0.85175 0.44747 0.82580 1
N60 N 1 0.77685 0.10172 0.90448 1
N61 N 1 0.19748 0.86997 0.09500 1
N62 N 1 0.24007 0.35299 0.67373 1
N63 N 1 0.32020 0.49114 0.38782 1
N64 N 1 0.10391 0.92695 0.61428 1
#End of data

data_crb
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
crb/H-H 2.25/Li-N 2.05-2.11
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: crb.cif. 
;
_cell_length_a                      9.0771
_cell_length_b                      23.3898
_cell_length_c                      22.2248
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        4718.582
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.04290 0.28437 0.13320 1
H2 H 1 0.33080 0.68136 0.60960 1
H3 H 1 0.66923 0.18136 0.89041 1
H4 H 1 0.95709 0.78437 0.36680 1
H5 H 1 0.95708 0.71563 0.86680 1
H6 H 1 0.66921 0.31864 0.39040 1
H7 H 1 0.33080 0.81863 0.10959 1
H8 H 1 0.72369 0.45896 0.89090 1
H9 H 1 0.50273 0.60791 0.26422 1
H10 H 1 0.49722 0.10791 0.23578 1
H11 H 1 0.27635 0.95896 0.60910 1
H12 H 1 0.27632 0.54103 0.10910 1
H13 H 1 0.49726 0.39208 0.73578 1
H14 H 1 0.50280 0.89209 0.76422 1
H15 H 1 0.09283 0.37546 0.21184 1
H16 H 1 0.32851 0.60344 0.70460 1
H17 H 1 0.67151 0.10344 0.79540 1
H18 H 1 0.90716 0.87546 0.28815 1
H19 H 1 0.90716 0.62454 0.78815 1
H20 H 1 0.67149 0.39656 0.29540 1
H21 H 1 0.32850 0.89656 0.20459 1
H22 H 1 0.69444 0.37208 0.97621 1
H23 H 1 0.53698 0.69399 0.34900 1
H24 H 1 0.46298 0.19399 0.15101 1
H25 H 1 0.30557 0.87208 0.52379 1
H26 H 1 0.30555 0.62792 0.02378 1
H27 H 1 0.46301 0.30601 0.65101 1
H28 H 1 0.53703 0.80601 0.84899 1
H29 H 1 0.74079 0.34593 0.09672 1
H30 H 1 0.74296 0.69240 0.60919 1
H31 H 1 0.25704 0.19239 0.89082 1
H32 H 1 0.25921 0.84593 0.40328 1
H33 H 1 0.25920 0.65407 0.90327 1
H34 H 1 0.25702 0.30760 0.39082 1
H35 H 1 0.74297 0.80760 0.10919 1
H36 H 1 0.01613 0.44129 0.03792 1
H37 H 1 0.60217 0.54167 0.56417 1
H38 H 1 0.39784 0.04167 0.93583 1
H39 H 1 0.98386 0.94130 0.46208 1
H40 H 1 0.98386 0.55870 0.96208 1
H41 H 1 0.39783 0.45833 0.43583 1
H42 H 1 0.60216 0.95833 0.06416 1
H43 H 1 0.76069 0.58023 0.64464 1
H44 H 1 0.66418 0.45165 0.11649 1
H45 H 1 0.33582 0.95164 0.38350 1
H46 H 1 0.23933 0.08023 0.85537 1
H47 H 1 0.23930 0.41977 0.35537 1
H48 H 1 0.33583 0.54835 0.88351 1
H49 H 1 0.66419 0.04835 0.61650 1
H50 H 1 0.22500 0.26261 0.06502 1
H51 H 1 0.17066 0.71317 0.52827 1
H52 H 1 0.82934 0.21317 0.97174 1
H53 H 1 0.77500 0.76261 0.43498 1
H54 H 1 0.77501 0.73739 0.93497 1
H55 H 1 0.82933 0.28683 0.47173 1
H56 H 1 0.17067 0.78682 0.02827 1
H57 H 1 0.02750 0.55779 0.70120 1
H58 H 1 0.42277 0.44516 0.19414 1
H59 H 1 0.57722 0.94516 0.30585 1
H60 H 1 0.97252 0.05779 0.79880 1
H61 H 1 0.97250 0.44221 0.29880 1
H62 H 1 0.57723 0.55483 0.80586 1
H63 H 1 0.42279 0.05483 0.69414 1
H64 H 1 0.02179 0.26945 0.89344 1
H65 H 1 0.50497 0.77565 0.41369 1
H66 H 1 0.49504 0.27566 0.08632 1
H67 H 1 0.97821 0.76946 0.60656 1
H68 H 1 0.97820 0.73054 0.10656 1
H69 H 1 0.49503 0.22434 0.58632 1
H70 H 1 0.50496 0.72434 0.91368 1
H71 H 1 0.70759 0.44426 0.76928 1
H72 H 1 0.77623 0.53152 0.28049 1
H73 H 1 0.22375 0.03151 0.21950 1
H74 H 1 0.29243 0.94426 0.73073 1
H75 H 1 0.29242 0.55573 0.23072 1
H76 H 1 0.22377 0.46848 0.71951 1
H77 H 1 0.77626 0.96848 0.78049 1
H78 H 1 0.14081 0.38421 0.92069 1
H79 H 1 0.54720 0.53488 0.43802 1
H80 H 1 0.45282 0.03488 0.06198 1
H81 H 1 0.85921 0.88421 0.57931 1
H82 H 1 0.85920 0.61579 0.07931 1
H83 H 1 0.45281 0.46512 0.56198 1
H84 H 1 0.54717 0.96513 0.93802 1
H85 H 1 0.14080 0.11579 0.42069 1
H86 H 1 0.70758 0.05574 0.26927 1
H87 H 1 0.02179 0.23055 0.39344 1
H88 H 1 0.02749 0.94221 0.20121 1
H89 H 1 0.22501 0.23739 0.56502 1
H90 H 1 0.76067 0.91976 0.14463 1
H91 H 1 0.01615 0.05870 0.53793 1
H92 H 1 0.74079 0.15407 0.59673 1
H93 H 1 0.69444 0.12792 0.47621 1
H94 H 1 0.09285 0.12454 0.71185 1
H95 H 1 0.72367 0.04104 0.39090 1
H96 H 1 0.04291 0.21563 0.63320 1
Li1 Li 1 0.01349 0.49515 0.83048 1
Li2 Li 1 0.53155 0.83140 0.99290 1
Li3 Li 1 0.98650 0.50485 0.16951 1
Li4 Li 1 0.46845 0.33140 0.50710 1
Li5 Li 1 0.46846 0.16860 0.00710 1
Li6 Li 1 0.53155 0.66860 0.49290 1
Li7 Li 1 0.01346 0.00484 0.33048 1
Li8 Li 1 0.98654 0.99515 0.66952 1
B1 B 1 0.02894 0.67981 0.98882 1
B2 B 1 0.97107 0.32019 0.01118 1
B3 B 1 0.51746 0.50539 0.68655 1
B4 B 1 0.48255 0.00540 0.81345 1
B5 B 1 0.51745 0.99460 0.18654 1
B6 B 1 0.48254 0.49460 0.31345 1
B7 B 1 0.97106 0.17980 0.51119 1
B8 B 1 0.02894 0.82019 0.48882 1
C1 C 1 0.04903 0.33022 0.12489 1
C2 C 1 0.38609 0.64012 0.61349 1
C3 C 1 0.61392 0.14012 0.88652 1
C4 C 1 0.95098 0.83023 0.37511 1
C5 C 1 0.95096 0.66977 0.87511 1
C6 C 1 0.61391 0.35988 0.38651 1
C7 C 1 0.38609 0.85988 0.11349 1
C8 C 1 0.80725 0.43041 0.90944 1
C9 C 1 0.51489 0.60548 0.31291 1
C10 C 1 0.48506 0.10548 0.18710 1
C11 C 1 0.19277 0.93041 0.59056 1
C12 C 1 0.19275 0.56958 0.09055 1
C13 C 1 0.48510 0.39452 0.68709 1
C14 C 1 0.51493 0.89452 0.81290 1
C15 C 1 0.07080 0.37595 0.16356 1
C16 C 1 0.38356 0.60182 0.66109 1
C17 C 1 0.61646 0.10182 0.83891 1
C18 C 1 0.92920 0.87595 0.33644 1
C19 C 1 0.92919 0.62405 0.83644 1
C20 C 1 0.61644 0.39818 0.33891 1
C21 C 1 0.38355 0.89817 0.16108 1
C22 C 1 0.79081 0.38772 0.95211 1
C23 C 1 0.53397 0.64782 0.35572 1
C24 C 1 0.46599 0.14782 0.14428 1
C25 C 1 0.20920 0.88772 0.54789 1
C26 C 1 0.20918 0.61228 0.04789 1
C27 C 1 0.46602 0.35217 0.64428 1
C28 C 1 0.53399 0.85218 0.85572 1
C29 C 1 0.72170 0.30839 0.06878 1
C30 C 1 0.78535 0.71784 0.57184 1
C31 C 1 0.21465 0.21783 0.92816 1
C32 C 1 0.27831 0.80838 0.43122 1
C33 C 1 0.27829 0.69161 0.93121 1
C34 C 1 0.21464 0.28216 0.42816 1
C35 C 1 0.78535 0.78216 0.07184 1
C36 C 1 0.03215 0.41148 0.07511 1
C37 C 1 0.52512 0.56911 0.58833 1
C38 C 1 0.47491 0.06910 0.91167 1
C39 C 1 0.96785 0.91148 0.42489 1
C40 C 1 0.96785 0.58851 0.92489 1
C41 C 1 0.47488 0.43089 0.41167 1
C42 C 1 0.52510 0.93089 0.08833 1
C43 C 1 0.78879 0.54857 0.67865 1
C44 C 1 0.65292 0.46719 0.16260 1
C45 C 1 0.34707 0.96719 0.33740 1
C46 C 1 0.21125 0.04857 0.82136 1
C47 C 1 0.21121 0.45143 0.32136 1
C48 C 1 0.34708 0.53281 0.83741 1
C49 C 1 0.65292 0.03281 0.66260 1
C50 C 1 0.20279 0.25289 0.01792 1
C51 C 1 0.23164 0.73958 0.49632 1
C52 C 1 0.76836 0.23958 0.00368 1
C53 C 1 0.79721 0.75289 0.48208 1
C54 C 1 0.79721 0.74711 0.98208 1
C55 C 1 0.76836 0.26042 0.50368 1
C56 C 1 0.23164 0.76042 0.99632 1
C57 C 1 0.92092 0.53699 0.70742 1
C58 C 1 0.53161 0.46389 0.20041 1
C59 C 1 0.46839 0.96389 0.29959 1
C60 C 1 0.07911 0.03699 0.79258 1
C61 C 1 0.07909 0.46301 0.29258 1
C62 C 1 0.46840 0.53610 0.79959 1
C63 C 1 0.53161 0.03611 0.70041 1
C64 C 1 0.09749 0.25590 0.92869 1
C65 C 1 0.39889 0.77247 0.43647 1
C66 C 1 0.60112 0.27247 0.06353 1
C67 C 1 0.90250 0.75590 0.57131 1
C68 C 1 0.90250 0.74410 0.07131 1
C69 C 1 0.60112 0.22752 0.56353 1
C70 C 1 0.39889 0.72753 0.93647 1
C71 C 1 0.76037 0.47795 0.74307 1
C72 C 1 0.71434 0.50890 0.24577 1
C73 C 1 0.28565 0.00889 0.25423 1
C74 C 1 0.23965 0.97796 0.75693 1
C75 C 1 0.23963 0.52205 0.25693 1
C76 C 1 0.28566 0.49110 0.75424 1
C77 C 1 0.71435 0.99110 0.74577 1
C78 C 1 0.02323 0.39355 0.92363 1
C79 C 1 0.53787 0.56711 0.40283 1
C80 C 1 0.46213 0.06711 0.09717 1
C81 C 1 0.97678 0.89356 0.57637 1
C82 C 1 0.97677 0.60645 0.07637 1
C83 C 1 0.46213 0.43289 0.59717 1
C84 C 1 0.53788 0.93289 0.90283 1
C85 C 1 0.02323 0.10644 0.42363 1
C86 C 1 0.76036 0.02204 0.24307 1
C87 C 1 0.09749 0.24410 0.42869 1
C88 C 1 0.92090 0.96300 0.20742 1
C89 C 1 0.20280 0.24711 0.51792 1
C90 C 1 0.78877 0.95142 0.17865 1
C91 C 1 0.03216 0.08851 0.57512 1
C92 C 1 0.72170 0.19162 0.56878 1
C93 C 1 0.79082 0.11227 0.45211 1
C94 C 1 0.07081 0.12405 0.66356 1
C95 C 1 0.80725 0.06958 0.40944 1
C96 C 1 0.04903 0.16977 0.62489 1
N1 N 1 0.05911 0.42699 0.13210 1
N2 N 1 0.47271 0.55599 0.64481 1
N3 N 1 0.52732 0.05599 0.85519 1
N4 N 1 0.94088 0.92700 0.36790 1
N5 N 1 0.94089 0.57300 0.86790 1
N6 N 1 0.52729 0.44400 0.35519 1
N7 N 1 0.47269 0.94400 0.14481 1
N8 N 1 0.02517 0.35317 0.06786 1
N9 N 1 0.47546 0.61941 0.56783 1
N10 N 1 0.52455 0.11942 0.93217 1
N11 N 1 0.97484 0.85317 0.43214 1
N12 N 1 0.97483 0.64682 0.93214 1
N13 N 1 0.52454 0.38058 0.43217 1
N14 N 1 0.47545 0.88058 0.06783 1
N15 N 1 0.95348 0.43385 0.89157 1
N16 N 1 0.51754 0.55342 0.34324 1
N17 N 1 0.48244 0.05342 0.15675 1
N18 N 1 0.04654 0.93386 0.60843 1
N19 N 1 0.04653 0.56614 0.10843 1
N20 N 1 0.48246 0.44658 0.65675 1
N21 N 1 0.51757 0.94658 0.84324 1
N22 N 1 0.92965 0.36398 0.96110 1
N23 N 1 0.54819 0.62351 0.41232 1
N24 N 1 0.45181 0.12351 0.08768 1
N25 N 1 0.07036 0.86398 0.53890 1
N26 N 1 0.07035 0.63602 0.03890 1
N27 N 1 0.45181 0.37649 0.58768 1
N28 N 1 0.54819 0.87649 0.91232 1
N29 N 1 0.23252 0.50466 0.80863 1
N30 N 1 0.31458 0.48957 0.29839 1
N31 N 1 0.68541 0.98957 0.20161 1
N32 N 1 0.76750 0.00467 0.69138 1
N33 N 1 0.76748 0.49534 0.19138 1
N34 N 1 0.68542 0.51042 0.70161 1
N35 N 1 0.31461 0.01043 0.79839 1
N36 N 1 0.90216 0.49288 0.74843 1
N37 N 1 0.57124 0.49117 0.25373 1
N38 N 1 0.42875 0.99116 0.24626 1
N39 N 1 0.09785 0.99288 0.75157 1
N40 N 1 0.09784 0.50712 0.25157 1
N41 N 1 0.42877 0.50883 0.74627 1
N42 N 1 0.57125 0.00883 0.75373 1
N43 N 1 0.82917 0.28717 0.03005 1
N44 N 1 0.71958 0.71606 0.51554 1
N45 N 1 0.28042 0.21606 0.98446 1
N46 N 1 0.17084 0.78717 0.46995 1
N47 N 1 0.17083 0.71283 0.96995 1
N48 N 1 0.28042 0.28394 0.48445 1
N49 N 1 0.71958 0.78394 0.01554 1
N50 N 1 0.09043 0.27866 0.98659 1
N51 N 1 0.36902 0.72913 0.47725 1
N52 N 1 0.63099 0.22913 0.02276 1
N53 N 1 0.90957 0.77866 0.51341 1
N54 N 1 0.90957 0.72134 0.01341 1
N55 N 1 0.63099 0.27086 0.52275 1
N56 N 1 0.36901 0.77086 0.97724 1
N57 N 1 0.09043 0.22134 0.48658 1
N58 N 1 0.82916 0.21283 0.53005 1
N59 N 1 0.90215 0.00711 0.24843 1
N60 N 1 0.23250 0.99533 0.30862 1
N61 N 1 0.92965 0.13601 0.46110 1
N62 N 1 0.95347 0.06614 0.39157 1
N63 N 1 0.02517 0.14682 0.56786 1
N64 N 1 0.05913 0.07300 0.63210 1
#End of data

data_dft
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
dft/H-H 2.49/Li-N 2.05-2.09
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: dft.cif. 
;
_cell_length_a                      18.1664
_cell_length_b                      18.1664
_cell_length_c                      15.769
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        5204.056
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.22011 0.00215 0.36904 1
H2 H 1 0.77989 0.99785 0.36904 1
H3 H 1 0.27989 0.50215 0.13095 1
H4 H 1 0.72011 0.49785 0.13095 1
H5 H 1 0.99785 0.77989 0.63096 1
H6 H 1 0.00215 0.22011 0.63096 1
H7 H 1 0.49785 0.72011 0.86905 1
H8 H 1 0.73604 0.04557 0.59276 1
H9 H 1 0.26397 0.95443 0.59276 1
H10 H 1 0.76397 0.54557 0.90724 1
H11 H 1 0.23604 0.45443 0.90724 1
H12 H 1 0.95443 0.26397 0.40724 1
H13 H 1 0.04557 0.73604 0.40723 1
H14 H 1 0.45443 0.23603 0.09276 1
H15 H 1 0.68445 0.96494 0.47979 1
H16 H 1 0.31554 0.03506 0.47979 1
H17 H 1 0.81554 0.46493 0.02021 1
H18 H 1 0.18446 0.53507 0.02021 1
H19 H 1 0.03506 0.31554 0.52021 1
H20 H 1 0.96494 0.68446 0.52021 1
H21 H 1 0.53507 0.18446 0.97979 1
H22 H 1 0.39464 0.24119 0.39253 1
H23 H 1 0.60536 0.75881 0.39253 1
H24 H 1 0.10536 0.74119 0.10747 1
H25 H 1 0.89464 0.25881 0.10747 1
H26 H 1 0.75881 0.60536 0.60747 1
H27 H 1 0.24119 0.39464 0.60747 1
H28 H 1 0.25881 0.89464 0.89252 1
H29 H 1 0.59592 0.76500 0.56957 1
H30 H 1 0.40408 0.23500 0.56957 1
H31 H 1 0.90408 0.26500 0.93042 1
H32 H 1 0.09592 0.73501 0.93042 1
H33 H 1 0.23500 0.40408 0.43043 1
H34 H 1 0.76500 0.59592 0.43043 1
H35 H 1 0.73501 0.09592 0.06957 1
H36 H 1 0.31691 0.20146 0.16138 1
H37 H 1 0.68309 0.79854 0.16138 1
H38 H 1 0.18309 0.70147 0.33862 1
H39 H 1 0.81691 0.29853 0.33862 1
H40 H 1 0.79853 0.68309 0.83862 1
H41 H 1 0.20146 0.31691 0.83862 1
H42 H 1 0.29853 0.81691 0.66138 1
H43 H 1 0.63914 0.75320 0.80947 1
H44 H 1 0.36086 0.24680 0.80946 1
H45 H 1 0.86085 0.25320 0.69053 1
H46 H 1 0.13914 0.74680 0.69053 1
H47 H 1 0.24680 0.36086 0.19053 1
H48 H 1 0.75320 0.63914 0.19053 1
H49 H 1 0.74680 0.13915 0.30946 1
H50 H 1 0.48592 0.11286 0.31670 1
H51 H 1 0.51408 0.88714 0.31670 1
H52 H 1 0.01408 0.61286 0.18330 1
H53 H 1 0.98592 0.38714 0.18330 1
H54 H 1 0.88714 0.51408 0.68330 1
H55 H 1 0.11286 0.48592 0.68330 1
H56 H 1 0.38714 0.98592 0.81669 1
H57 H 1 0.49110 0.91399 0.71924 1
H58 H 1 0.50890 0.08601 0.71924 1
H59 H 1 0.00890 0.41399 0.78076 1
H60 H 1 0.99110 0.58600 0.78076 1
H61 H 1 0.08601 0.50890 0.28076 1
H62 H 1 0.91399 0.49110 0.28076 1
H63 H 1 0.58600 0.99110 0.21924 1
H64 H 1 0.21142 0.08316 0.19260 1
H65 H 1 0.78858 0.91684 0.19261 1
H66 H 1 0.28857 0.58316 0.30740 1
H67 H 1 0.71143 0.41684 0.30740 1
H68 H 1 0.91684 0.78858 0.80740 1
H69 H 1 0.08316 0.21142 0.80740 1
H70 H 1 0.41684 0.71143 0.69260 1
H71 H 1 0.81062 0.90026 0.81016 1
H72 H 1 0.18938 0.09974 0.81016 1
H73 H 1 0.68938 0.40026 0.68983 1
H74 H 1 0.31062 0.59974 0.68984 1
H75 H 1 0.09974 0.18938 0.18984 1
H76 H 1 0.90026 0.81062 0.18984 1
H77 H 1 0.59974 0.31062 0.31016 1
H78 H 1 0.76120 0.75359 0.61076 1
H79 H 1 0.23880 0.24641 0.61076 1
H80 H 1 0.73880 0.25359 0.88924 1
H81 H 1 0.26120 0.74641 0.88924 1
H82 H 1 0.24641 0.23880 0.38924 1
H83 H 1 0.75359 0.76120 0.38924 1
H84 H 1 0.74641 0.26120 0.11076 1
H85 H 1 0.25359 0.73881 0.11076 1
H86 H 1 0.40026 0.68939 0.31016 1
H87 H 1 0.58316 0.28857 0.69260 1
H88 H 1 0.41399 0.00890 0.21924 1
H89 H 1 0.61286 0.01408 0.81670 1
H90 H 1 0.25320 0.86086 0.30947 1
H91 H 1 0.70147 0.18309 0.66138 1
H92 H 1 0.26499 0.90408 0.06957 1
H93 H 1 0.74119 0.10536 0.89253 1
H94 H 1 0.46493 0.81554 0.97979 1
H95 H 1 0.54557 0.76397 0.09276 1
H96 H 1 0.50215 0.27989 0.86904 1
Li1 Li 1 0.66759 0.89333 0.67804 1
Li2 Li 1 0.33241 0.10667 0.67804 1
Li3 Li 1 0.83241 0.39333 0.82196 1
Li4 Li 1 0.16759 0.60667 0.82196 1
Li5 Li 1 0.10667 0.33241 0.32196 1
Li6 Li 1 0.89333 0.66759 0.32196 1
Li7 Li 1 0.60667 0.16759 0.17804 1
Li8 Li 1 0.39333 0.83241 0.17804 1
B1 B 1 0.32592 0.11391 0.31676 1
B2 B 1 0.67408 0.88609 0.31676 1
B3 B 1 0.17408 0.61392 0.18324 1
B4 B 1 0.82592 0.38609 0.18324 1
B5 B 1 0.88609 0.67408 0.68324 1
B6 B 1 0.11391 0.32592 0.68324 1
B7 B 1 0.38609 0.82592 0.81675 1
B8 B 1 0.61391 0.17408 0.81675 1
C1 C 1 0.26597 0.98213 0.33091 1
C2 C 1 0.73403 0.01788 0.33091 1
C3 C 1 0.23403 0.48213 0.16908 1
C4 C 1 0.76597 0.51787 0.16908 1
C5 C 1 0.01788 0.73403 0.66909 1
C6 C 1 0.98212 0.26597 0.66909 1
C7 C 1 0.51787 0.76597 0.83091 1
C8 C 1 0.70445 0.05889 0.64956 1
C9 C 1 0.29555 0.94111 0.64956 1
C10 C 1 0.79555 0.55889 0.85044 1
C11 C 1 0.20445 0.44111 0.85044 1
C12 C 1 0.94111 0.29555 0.35043 1
C13 C 1 0.05889 0.70445 0.35043 1
C14 C 1 0.44111 0.20445 0.14956 1
C15 C 1 0.66269 0.90901 0.48167 1
C16 C 1 0.33731 0.09099 0.48167 1
C17 C 1 0.83731 0.40900 0.01833 1
C18 C 1 0.16269 0.59100 0.01833 1
C19 C 1 0.09099 0.33731 0.51833 1
C20 C 1 0.90901 0.66269 0.51833 1
C21 C 1 0.59099 0.16269 0.98167 1
C22 C 1 0.37890 0.19819 0.43714 1
C23 C 1 0.62110 0.80181 0.43714 1
C24 C 1 0.12110 0.69819 0.06286 1
C25 C 1 0.87890 0.30181 0.06286 1
C26 C 1 0.80181 0.62110 0.56286 1
C27 C 1 0.19819 0.37890 0.56287 1
C28 C 1 0.30181 0.87890 0.93713 1
C29 C 1 0.61701 0.80569 0.52484 1
C30 C 1 0.38299 0.19431 0.52484 1
C31 C 1 0.88299 0.30569 0.97516 1
C32 C 1 0.11701 0.69431 0.97516 1
C33 C 1 0.19431 0.38299 0.47516 1
C34 C 1 0.80569 0.61701 0.47516 1
C35 C 1 0.69431 0.11701 0.02483 1
C36 C 1 0.37236 0.18832 0.18289 1
C37 C 1 0.62764 0.81169 0.18289 1
C38 C 1 0.12764 0.68832 0.31710 1
C39 C 1 0.87236 0.31168 0.31711 1
C40 C 1 0.81168 0.62764 0.81711 1
C41 C 1 0.18832 0.37236 0.81711 1
C42 C 1 0.31168 0.87236 0.68289 1
C43 C 1 0.58743 0.78269 0.80009 1
C44 C 1 0.41257 0.21731 0.80009 1
C45 C 1 0.91257 0.28269 0.69991 1
C46 C 1 0.08743 0.71731 0.69991 1
C47 C 1 0.21731 0.41257 0.19991 1
C48 C 1 0.78269 0.58743 0.19991 1
C49 C 1 0.71731 0.08743 0.30009 1
C50 C 1 0.45960 0.14159 0.26399 1
C51 C 1 0.54040 0.85841 0.26399 1
C52 C 1 0.04040 0.64159 0.23600 1
C53 C 1 0.95960 0.35841 0.23600 1
C54 C 1 0.85841 0.54040 0.73601 1
C55 C 1 0.14159 0.45960 0.73601 1
C56 C 1 0.35841 0.95960 0.76399 1
C57 C 1 0.51353 0.86661 0.75297 1
C58 C 1 0.48647 0.13339 0.75297 1
C59 C 1 0.98647 0.36661 0.74703 1
C60 C 1 0.01353 0.63339 0.74703 1
C61 C 1 0.13339 0.48647 0.24703 1
C62 C 1 0.86661 0.51353 0.24703 1
C63 C 1 0.63339 0.01353 0.25297 1
C64 C 1 0.20219 0.13149 0.23210 1
C65 C 1 0.79781 0.86851 0.23211 1
C66 C 1 0.29781 0.63150 0.26790 1
C67 C 1 0.70219 0.36850 0.26790 1
C68 C 1 0.86851 0.79781 0.76789 1
C69 C 1 0.13149 0.20219 0.76790 1
C70 C 1 0.36851 0.70219 0.73210 1
C71 C 1 0.81541 0.85268 0.76831 1
C72 C 1 0.18459 0.14732 0.76831 1
C73 C 1 0.68459 0.35267 0.73168 1
C74 C 1 0.31541 0.64732 0.73168 1
C75 C 1 0.14732 0.18459 0.23169 1
C76 C 1 0.85267 0.81541 0.23169 1
C77 C 1 0.64733 0.31541 0.26831 1
C78 C 1 0.78807 0.77880 0.66544 1
C79 C 1 0.21193 0.22120 0.66544 1
C80 C 1 0.71193 0.27880 0.83456 1
C81 C 1 0.28806 0.72120 0.83456 1
C82 C 1 0.22120 0.21194 0.33456 1
C83 C 1 0.77880 0.78806 0.33456 1
C84 C 1 0.72120 0.28806 0.16544 1
C85 C 1 0.27880 0.71194 0.16544 1
C86 C 1 0.35267 0.68459 0.26831 1
C87 C 1 0.63149 0.29781 0.73210 1
C88 C 1 0.36661 0.98647 0.25297 1
C89 C 1 0.64159 0.04040 0.76399 1
C90 C 1 0.28269 0.91257 0.30009 1
C91 C 1 0.68832 0.12764 0.68289 1
C92 C 1 0.30569 0.88299 0.02483 1
C93 C 1 0.69819 0.12110 0.93713 1
C94 C 1 0.40900 0.83731 0.98167 1
C95 C 1 0.55889 0.79555 0.14956 1
C96 C 1 0.48213 0.23403 0.83091 1
N1 N 1 0.32028 0.02955 0.30080 1
N2 N 1 0.67972 0.97045 0.30080 1
N3 N 1 0.17972 0.52955 0.19920 1
N4 N 1 0.82028 0.47045 0.19920 1
N5 N 1 0.97046 0.67972 0.69920 1
N6 N 1 0.02954 0.32028 0.69920 1
N7 N 1 0.47045 0.82028 0.80080 1
N8 N 1 0.67475 0.00428 0.70057 1
N9 N 1 0.32525 0.99572 0.70057 1
N10 N 1 0.82525 0.50428 0.79943 1
N11 N 1 0.17475 0.49572 0.79943 1
N12 N 1 0.99572 0.32525 0.29943 1
N13 N 1 0.00427 0.67475 0.29943 1
N14 N 1 0.49572 0.17475 0.20057 1
N15 N 1 0.34965 0.13147 0.40951 1
N16 N 1 0.65035 0.86853 0.40951 1
N17 N 1 0.15035 0.63147 0.09049 1
N18 N 1 0.84965 0.36853 0.09049 1
N19 N 1 0.86853 0.65035 0.59049 1
N20 N 1 0.13147 0.34965 0.59049 1
N21 N 1 0.36853 0.84965 0.90951 1
N22 N 1 0.64331 0.87320 0.55248 1
N23 N 1 0.35669 0.12680 0.55248 1
N24 N 1 0.85668 0.37320 0.94752 1
N25 N 1 0.14332 0.62680 0.94752 1
N26 N 1 0.12679 0.35669 0.44752 1
N27 N 1 0.87320 0.64331 0.44752 1
N28 N 1 0.62680 0.14332 0.05248 1
N29 N 1 0.38448 0.14805 0.25654 1
N30 N 1 0.61552 0.85195 0.25654 1
N31 N 1 0.11552 0.64805 0.24346 1
N32 N 1 0.88448 0.35195 0.24346 1
N33 N 1 0.85195 0.61552 0.74346 1
N34 N 1 0.14805 0.38448 0.74346 1
N35 N 1 0.35195 0.88448 0.75653 1
N36 N 1 0.58431 0.84594 0.75095 1
N37 N 1 0.41569 0.15406 0.75095 1
N38 N 1 0.91569 0.34594 0.74905 1
N39 N 1 0.08431 0.65406 0.74905 1
N40 N 1 0.15406 0.41569 0.24905 1
N41 N 1 0.84594 0.58431 0.24905 1
N42 N 1 0.65406 0.08431 0.25095 1
N43 N 1 0.24956 0.14920 0.29851 1
N44 N 1 0.75044 0.85080 0.29851 1
N45 N 1 0.25044 0.64920 0.20149 1
N46 N 1 0.74955 0.35080 0.20149 1
N47 N 1 0.85080 0.75045 0.70149 1
N48 N 1 0.14920 0.24955 0.70149 1
N49 N 1 0.35080 0.74955 0.79851 1
N50 N 1 0.76497 0.84036 0.70385 1
N51 N 1 0.23503 0.15964 0.70385 1
N52 N 1 0.73502 0.34036 0.79615 1
N53 N 1 0.26498 0.65964 0.79615 1
N54 N 1 0.15965 0.23503 0.29615 1
N55 N 1 0.84035 0.76497 0.29616 1
N56 N 1 0.65964 0.26497 0.20385 1
N57 N 1 0.34036 0.73503 0.20385 1
N58 N 1 0.64920 0.25045 0.79851 1
N59 N 1 0.34594 0.91569 0.25095 1
N60 N 1 0.64805 0.11552 0.75654 1
N61 N 1 0.37320 0.85668 0.05248 1
N62 N 1 0.63147 0.15035 0.90951 1
N63 N 1 0.50428 0.82525 0.20057 1
N64 N 1 0.52955 0.17972 0.80080 1
#End of data

data_dia
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
dia/H-H 2.63/Li-N 2.05
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_dia.cif. 
;
_cell_length_a                      7.9518
_cell_length_b                      7.9518
_cell_length_c                      15.1168
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        955.8522
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.39220 0.83298 0.59041 1
H2 H 1 0.85618 0.58201 0.61992 1
H3 H 1 0.82680 0.82174 0.75373 1
H4 H 1 0.17319 0.17832 0.75372 1
H5 H 1 0.82173 0.17320 0.24623 1
H6 H 1 0.17830 0.82682 0.24623 1
H7 H 1 0.14379 0.41804 0.61991 1
H8 H 1 0.58200 0.14382 0.38004 1
H9 H 1 0.41801 0.85622 0.38005 1
H10 H 1 0.60779 0.16710 0.59041 1
H11 H 1 0.83294 0.60782 0.40954 1
H12 H 1 0.16707 0.39222 0.40955 1
H13 H 1 0.66706 0.89225 0.90955 1
H14 H 1 0.33295 0.10783 0.90956 1
H15 H 1 0.10781 0.66708 0.09041 1
H16 H 1 0.91804 0.35623 0.88003 1
H17 H 1 0.08200 0.64384 0.88005 1
H18 H 1 0.64383 0.91805 0.11992 1
H19 H 1 0.67830 0.32684 0.74623 1
H20 H 1 0.32171 0.67323 0.74623 1
H21 H 1 0.67321 0.67830 0.25372 1
H22 H 1 0.32681 0.32171 0.25373 1
H23 H 1 0.35622 0.08200 0.11991 1
H24 H 1 0.89223 0.33297 0.09040 1
Li1 Li 1 0.50000 0.50000 0.50000 1
Li2 Li 1 0.00000 0.00000 0.00000 1
B1 B 1 0.50000 0.00000 0.75000 1
B2 B 1 0.00000 0.50000 0.25000 1
C1 C 1 0.51479 0.79495 0.61603 1
C2 C 1 0.75318 0.66890 0.63370 1
C3 C 1 0.74018 0.78696 0.70095 1
C4 C 1 0.25981 0.21310 0.70094 1
C5 C 1 0.78695 0.25983 0.29901 1
C6 C 1 0.21308 0.74020 0.29901 1
C7 C 1 0.24680 0.33116 0.63369 1
C8 C 1 0.66888 0.24682 0.36626 1
C9 C 1 0.33112 0.75322 0.36627 1
C10 C 1 0.48520 0.20512 0.61602 1
C11 C 1 0.79493 0.48522 0.38392 1
C12 C 1 0.20509 0.51482 0.38393 1
C13 C 1 0.70509 0.01484 0.88393 1
C14 C 1 0.29493 0.98524 0.88393 1
C15 C 1 0.98522 0.70510 0.11603 1
C16 C 1 0.83114 0.25323 0.86626 1
C17 C 1 0.16889 0.74684 0.86627 1
C18 C 1 0.74683 0.83116 0.13370 1
C19 C 1 0.71308 0.24022 0.79901 1
C20 C 1 0.28694 0.75986 0.79901 1
C21 C 1 0.75984 0.71310 0.20094 1
C22 C 1 0.24020 0.28694 0.20095 1
C23 C 1 0.25321 0.16889 0.13369 1
C24 C 1 0.01482 0.29494 0.11602 1
N1 N 1 0.61103 0.67428 0.58062 1
N2 N 1 0.58667 0.86784 0.68931 1
N3 N 1 0.41333 0.13224 0.68931 1
N4 N 1 0.86782 0.41335 0.31064 1
N5 N 1 0.13221 0.58669 0.31064 1
N6 N 1 0.38895 0.32578 0.58061 1
N7 N 1 0.67425 0.38898 0.41934 1
N8 N 1 0.32575 0.61106 0.41935 1
N9 N 1 0.82577 0.11107 0.91934 1
N10 N 1 0.17426 0.88899 0.91935 1
N11 N 1 0.88899 0.82578 0.08062 1
N12 N 1 0.63220 0.08671 0.81064 1
N13 N 1 0.36781 0.91337 0.81064 1
N14 N 1 0.91335 0.63222 0.18930 1
N15 N 1 0.08669 0.36782 0.18931 1
N16 N 1 0.11107 0.17427 0.08061 1
#End of data

data_fau
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
FAU/H-H 2.41/Li-N 2.04-2.08/Fd3
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_fau.cif. 
;
_cell_length_a                      32.011
_cell_length_b                      32.011
_cell_length_c                      32.011
_cell_angle_alpha                   60
_cell_angle_beta                    60
_cell_angle_gamma                   60
_cell_volume                        23194.38
_cell_formula_units_Z               24
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.13484 0.26651 0.99144 1
H2 H 1 0.15167 0.40925 0.88189 1
H3 H 1 0.22696 0.23950 0.96593 1
H4 H 1 0.25378 0.34039 0.99172 1
H5 H 1 0.05929 0.36281 0.02729 1
H6 H 1 0.18715 0.28719 0.07772 1
H7 H 1 0.11668 0.42455 0.02198 1
H8 H 1 0.23437 0.39519 0.88688 1
H9 H 1 0.12302 0.66136 0.36985 1
H10 H 1 0.00945 0.68092 0.28743 1
H11 H 1 0.00612 0.82846 0.25084 1
H12 H 1 0.22366 0.69819 0.19190 1
H13 H 1 0.08901 0.79663 0.15390 1
H14 H 1 0.13313 0.82529 0.22824 1
H15 H 1 0.03237 0.75847 0.36724 1
H16 H 1 0.11488 0.98347 0.25869 1
H17 H 1 0.09858 0.84051 0.36815 1
H18 H 1 0.99600 0.90932 0.25875 1
H19 H 1 0.06263 0.96299 0.17251 1
H20 H 1 0.01573 0.85451 0.36351 1
H21 H 1 0.12733 0.58872 0.87983 1
H22 H 1 0.24372 0.42171 0.99941 1
H23 H 1 0.16113 0.45338 0.09629 1
H24 H 1 0.21787 0.49112 0.88326 1
H25 H 1 0.48856 0.21917 0.40465 1
H26 H 1 0.40345 0.88449 0.48946 1
H27 H 1 0.88366 0.40684 0.21925 1
H28 H 1 0.88326 0.21787 0.49112 1
H29 H 1 0.49112 0.88325 0.21787 1
H30 H 1 0.21925 0.88366 0.40684 1
H31 H 1 0.21917 0.40465 0.48855 1
H32 H 1 0.40465 0.48855 0.21917 1
H33 H 1 0.88449 0.48946 0.40345 1
H34 H 1 0.48945 0.40345 0.88449 1
H35 H 1 0.40684 0.21925 0.88366 1
H36 H 1 0.46187 0.15984 0.28020 1
H37 H 1 0.27678 0.09467 0.46494 1
H38 H 1 0.09725 0.28588 0.16220 1
H39 H 1 0.09629 0.16113 0.45338 1
H40 H 1 0.45337 0.09629 0.16113 1
H41 H 1 0.16220 0.09725 0.28587 1
H42 H 1 0.15984 0.28020 0.46187 1
H43 H 1 0.28020 0.46187 0.15984 1
H44 H 1 0.09467 0.46494 0.27677 1
H45 H 1 0.46495 0.27677 0.09467 1
H46 H 1 0.28588 0.16220 0.09725 1
H47 H 1 0.41946 0.24354 0.33249 1
H48 H 1 0.33387 0.99759 0.42175 1
H49 H 1 0.99670 0.33552 0.24802 1
H50 H 1 0.99940 0.24372 0.42170 1
H51 H 1 0.42170 0.99940 0.24372 1
H52 H 1 0.24802 0.99669 0.33552 1
H53 H 1 0.24355 0.33249 0.41946 1
H54 H 1 0.33249 0.41946 0.24355 1
H55 H 1 0.99758 0.42175 0.33387 1
H56 H 1 0.42175 0.33387 0.99759 1
H57 H 1 0.33552 0.24802 0.99670 1
H58 H 1 0.58469 0.13163 0.40370 1
H59 H 1 0.40849 0.88087 0.58782 1
H60 H 1 0.87986 0.40164 0.13249 1
H61 H 1 0.87983 0.12734 0.58872 1
H62 H 1 0.58872 0.87982 0.12733 1
H63 H 1 0.13249 0.87986 0.40164 1
H64 H 1 0.13164 0.40370 0.58469 1
H65 H 1 0.40369 0.58469 0.13164 1
H66 H 1 0.88087 0.58782 0.40849 1
H67 H 1 0.58782 0.40849 0.88087 1
H68 H 1 0.40164 0.13249 0.87987 1
H69 H 1 0.85691 0.01471 0.76899 1
H70 H 1 0.77094 0.36236 0.85641 1
H71 H 1 0.36417 0.76506 0.01654 1
H72 H 1 0.36351 0.01573 0.85451 1
H73 H 1 0.85451 0.36351 0.01573 1
H74 H 1 0.01654 0.36417 0.76506 1
H75 H 1 0.01471 0.76899 0.85691 1
H76 H 1 0.76899 0.85691 0.01471 1
H77 H 1 0.36236 0.85642 0.77094 1
H78 H 1 0.85641 0.77094 0.36236 1
H79 H 1 0.76506 0.01654 0.36417 1
H80 H 1 0.97269 0.06447 0.79311 1
H81 H 1 0.79596 0.17425 0.96855 1
H82 H 1 0.17345 0.80148 0.06397 1
H83 H 1 0.17251 0.06263 0.96299 1
H84 H 1 0.96297 0.17251 0.06263 1
H85 H 1 0.06397 0.17345 0.80148 1
H86 H 1 0.06447 0.79311 0.97270 1
H87 H 1 0.79311 0.97270 0.06446 1
H88 H 1 0.17424 0.96855 0.79596 1
H89 H 1 0.96855 0.79596 0.17425 1
H90 H 1 0.80149 0.06397 0.17345 1
H91 H 1 0.91302 0.99816 0.83653 1
H92 H 1 0.83594 0.25700 0.91248 1
H93 H 1 0.25728 0.83428 0.99792 1
H94 H 1 0.25876 0.99600 0.90932 1
H95 H 1 0.90931 0.25876 0.99600 1
H96 H 1 0.99792 0.25729 0.83428 1
H97 H 1 0.99816 0.83653 0.91302 1
H98 H 1 0.83653 0.91302 0.99816 1
H99 H 1 0.25700 0.91248 0.83594 1
H100 H 1 0.91248 0.83594 0.25701 1
H101 H 1 0.83428 0.99792 0.25729 1
H102 H 1 0.84163 0.09510 0.69537 1
H103 H 1 0.69456 0.37458 0.84347 1
H104 H 1 0.36953 0.69139 0.09893 1
H105 H 1 0.36815 0.09857 0.84051 1
H106 H 1 0.84051 0.36815 0.09858 1
H107 H 1 0.09892 0.36954 0.69139 1
H108 H 1 0.09510 0.69537 0.84163 1
H109 H 1 0.69537 0.84163 0.09509 1
H110 H 1 0.37458 0.84347 0.69456 1
H111 H 1 0.84347 0.69456 0.37458 1
H112 H 1 0.69139 0.09892 0.36954 1
H113 H 1 0.98269 0.11654 0.64218 1
H114 H 1 0.64285 0.25922 0.97793 1
H115 H 1 0.25947 0.64151 0.11668 1
H116 H 1 0.25868 0.11489 0.98347 1
H117 H 1 0.98347 0.25869 0.11489 1
H118 H 1 0.11668 0.25948 0.64152 1
H119 H 1 0.11653 0.64218 0.98269 1
H120 H 1 0.64217 0.98269 0.11653 1
H121 H 1 0.25922 0.97793 0.64285 1
H122 H 1 0.97793 0.64285 0.25922 1
H123 H 1 0.64152 0.11668 0.25947 1
H124 H 1 0.76123 0.03118 0.84517 1
H125 H 1 0.84674 0.36548 0.76052 1
H126 H 1 0.36643 0.84300 0.03094 1
H127 H 1 0.36724 0.03238 0.75847 1
H128 H 1 0.75847 0.36725 0.03237 1
H129 H 1 0.03094 0.36643 0.84301 1
H130 H 1 0.03117 0.84517 0.76123 1
H131 H 1 0.84518 0.76124 0.03117 1
H132 H 1 0.36547 0.76052 0.84674 1
H133 H 1 0.76051 0.84674 0.36547 1
H134 H 1 0.84300 0.03093 0.36643 1
H135 H 1 0.82721 0.13399 0.81363 1
H136 H 1 0.81201 0.23025 0.82492 1
H137 H 1 0.22839 0.81295 0.13316 1
H138 H 1 0.22823 0.13313 0.82529 1
H139 H 1 0.82529 0.22824 0.13313 1
H140 H 1 0.13316 0.22839 0.81295 1
H141 H 1 0.13398 0.81363 0.82721 1
H142 H 1 0.81363 0.82721 0.13399 1
H143 H 1 0.23025 0.82492 0.81202 1
H144 H 1 0.82492 0.81202 0.23025 1
H145 H 1 0.81295 0.13316 0.22840 1
H146 H 1 0.78848 0.09021 0.96974 1
H147 H 1 0.97350 0.15518 0.78496 1
H148 H 1 0.15253 0.96425 0.08800 1
H149 H 1 0.15390 0.08901 0.79663 1
H150 H 1 0.79664 0.15390 0.08901 1
H151 H 1 0.08800 0.15253 0.96425 1
H152 H 1 0.09021 0.96973 0.78849 1
H153 H 1 0.96973 0.78849 0.09021 1
H154 H 1 0.15518 0.78496 0.97350 1
H155 H 1 0.78495 0.97351 0.15518 1
H156 H 1 0.96423 0.08800 0.15254 1
H157 H 1 0.70237 0.22564 0.88269 1
H158 H 1 0.88224 0.19178 0.70364 1
H159 H 1 0.19061 0.88663 0.22290 1
H160 H 1 0.19190 0.22366 0.69818 1
H161 H 1 0.69818 0.19190 0.22366 1
H162 H 1 0.22290 0.19061 0.88663 1
H163 H 1 0.22564 0.88268 0.70237 1
H164 H 1 0.88268 0.70237 0.22564 1
H165 H 1 0.19177 0.70364 0.88223 1
H166 H 1 0.70364 0.88224 0.19178 1
H167 H 1 0.88664 0.22290 0.19061 1
H168 H 1 0.83059 0.00624 0.91751 1
H169 H 1 0.91639 0.25261 0.82793 1
H170 H 1 0.25379 0.91423 0.00165 1
H171 H 1 0.25084 0.00613 0.82846 1
H172 H 1 0.82846 0.25084 0.00613 1
H173 H 1 0.00165 0.25379 0.91423 1
H174 H 1 0.00624 0.91751 0.83059 1
H175 H 1 0.91751 0.83059 0.00623 1
H176 H 1 0.25260 0.82793 0.91640 1
H177 H 1 0.82793 0.91640 0.25261 1
H178 H 1 0.91423 0.00165 0.25378 1
H179 H 1 0.68209 0.01146 0.02345 1
H180 H 1 0.02409 0.28653 0.67999 1
H181 H 1 0.28403 0.02299 0.01044 1
H182 H 1 0.28742 0.00946 0.68092 1
H183 H 1 0.68092 0.28742 0.00946 1
H184 H 1 0.01044 0.28403 0.02299 1
H185 H 1 0.01145 0.02345 0.68209 1
H186 H 1 0.02345 0.68209 0.01146 1
H187 H 1 0.28653 0.67999 0.02409 1
H188 H 1 0.67999 0.02410 0.28652 1
H189 H 1 0.02298 0.01044 0.28403 1
H190 H 1 0.66520 0.11889 0.84644 1
H191 H 1 0.84146 0.36905 0.66228 1
H192 H 1 0.36995 0.84817 0.11795 1
H193 H 1 0.36986 0.12302 0.66136 1
H194 H 1 0.66136 0.36985 0.12302 1
H195 H 1 0.11794 0.36995 0.84817 1
H196 H 1 0.11889 0.84644 0.66520 1
H197 H 1 0.84644 0.66520 0.11889 1
H198 H 1 0.36905 0.66227 0.84146 1
H199 H 1 0.66227 0.84146 0.36904 1
H200 H 1 0.84817 0.11795 0.36995 1
H201 H 1 0.39281 0.23573 0.48070 1
H202 H 1 0.47907 0.88776 0.39344 1
H203 H 1 0.88598 0.48463 0.23383 1
H204 H 1 0.88688 0.23437 0.39519 1
H205 H 1 0.39518 0.88688 0.23438 1
H206 H 1 0.23383 0.88598 0.48463 1
H207 H 1 0.23573 0.48070 0.39280 1
H208 H 1 0.48070 0.39280 0.23574 1
H209 H 1 0.88776 0.39344 0.47908 1
H210 H 1 0.39343 0.47907 0.88777 1
H211 H 1 0.48464 0.23383 0.88597 1
H212 H 1 0.42296 0.11577 0.43677 1
H213 H 1 0.43814 0.01971 0.42511 1
H214 H 1 0.02160 0.43707 0.11694 1
H215 H 1 0.02198 0.11668 0.42455 1
H216 H 1 0.42455 0.02198 0.11668 1
H217 H 1 0.11694 0.02161 0.43706 1
H218 H 1 0.11578 0.43677 0.42296 1
H219 H 1 0.43677 0.42296 0.11577 1
H220 H 1 0.01971 0.42511 0.43815 1
H221 H 1 0.42511 0.43815 0.01971 1
H222 H 1 0.43706 0.11694 0.02160 1
H223 H 1 0.27729 0.18549 0.45690 1
H224 H 1 0.45445 0.07586 0.28121 1
H225 H 1 0.07676 0.44844 0.18628 1
H226 H 1 0.07772 0.18716 0.28718 1
H227 H 1 0.28719 0.07772 0.18716 1
H228 H 1 0.18628 0.07676 0.44844 1
H229 H 1 0.18549 0.45690 0.27729 1
H230 H 1 0.45690 0.27729 0.18549 1
H231 H 1 0.07586 0.28121 0.45445 1
H232 H 1 0.28121 0.45445 0.07586 1
H233 H 1 0.44844 0.18628 0.07676 1
H234 H 1 0.36781 0.05832 0.54639 1
H235 H 1 0.54749 0.02433 0.36767 1
H236 H 1 0.02637 0.55138 0.05841 1
H237 H 1 0.02729 0.05930 0.36281 1
H238 H 1 0.36280 0.02729 0.05930 1
H239 H 1 0.05841 0.02636 0.55138 1
H240 H 1 0.05832 0.54639 0.36781 1
H241 H 1 0.54639 0.36781 0.05832 1
H242 H 1 0.02433 0.36767 0.54750 1
H243 H 1 0.36767 0.54750 0.02433 1
H244 H 1 0.55138 0.05841 0.02636 1
H245 H 1 0.33663 0.25163 0.41336 1
H246 H 1 0.41417 0.99326 0.33737 1
H247 H 1 0.99309 0.41541 0.25223 1
H248 H 1 0.99172 0.25378 0.34039 1
H249 H 1 0.34039 0.99171 0.25379 1
H250 H 1 0.25223 0.99309 0.41541 1
H251 H 1 0.25163 0.41336 0.33663 1
H252 H 1 0.41336 0.33663 0.25163 1
H253 H 1 0.99326 0.33737 0.41418 1
H254 H 1 0.33736 0.41418 0.99327 1
H255 H 1 0.41541 0.25223 0.99309 1
H256 H 1 0.23889 0.22699 0.56803 1
H257 H 1 0.56923 0.96271 0.24048 1
H258 H 1 0.96333 0.56975 0.22636 1
H259 H 1 0.96593 0.22696 0.23950 1
H260 H 1 0.23949 0.96594 0.22696 1
H261 H 1 0.22635 0.96333 0.56976 1
H262 H 1 0.22698 0.56803 0.23889 1
H263 H 1 0.56803 0.23889 0.22699 1
H264 H 1 0.96271 0.24048 0.56923 1
H265 H 1 0.24048 0.56923 0.96270 1
H266 H 1 0.56975 0.22636 0.96334 1
H267 H 1 0.40798 0.15555 0.55467 1
H268 H 1 0.55553 0.87536 0.40641 1
H269 H 1 0.88055 0.55851 0.15154 1
H270 H 1 0.88189 0.15167 0.40925 1
H271 H 1 0.40925 0.88189 0.15167 1
H272 H 1 0.15155 0.88055 0.55850 1
H273 H 1 0.15555 0.55468 0.40798 1
H274 H 1 0.55467 0.40798 0.15555 1
H275 H 1 0.87536 0.40642 0.55553 1
H276 H 1 0.40642 0.55553 0.87536 1
H277 H 1 0.55851 0.15154 0.88054 1
H278 H 1 0.26737 0.13328 0.60780 1
H279 H 1 0.60722 0.99088 0.27220 1
H280 H 1 0.99085 0.60822 0.13354 1
H281 H 1 0.99144 0.13484 0.26651 1
H282 H 1 0.26651 0.99144 0.13485 1
H283 H 1 0.13353 0.99085 0.60822 1
H284 H 1 0.13328 0.60780 0.26737 1
H285 H 1 0.60780 0.26737 0.13328 1
H286 H 1 0.99087 0.27220 0.60723 1
H287 H 1 0.27220 0.60723 0.99087 1
H288 H 1 0.60822 0.13353 0.99085 1
Li1 Li 1 0.09872 0.72654 0.26501 1
Li2 Li 1 0.15116 0.52346 0.98513 1
Li3 Li 1 0.52224 0.15086 0.33922 1
Li4 Li 1 0.33950 0.98385 0.52390 1
Li5 Li 1 0.98600 0.33904 0.15255 1
Li6 Li 1 0.98513 0.15116 0.52346 1
Li7 Li 1 0.52346 0.98513 0.15116 1
Li8 Li 1 0.15255 0.98600 0.33904 1
Li9 Li 1 0.15087 0.33922 0.52224 1
Li10 Li 1 0.33922 0.52224 0.15087 1
Li11 Li 1 0.98385 0.52390 0.33950 1
Li12 Li 1 0.52390 0.33950 0.98385 1
Li13 Li 1 0.33904 0.15255 0.98600 1
Li14 Li 1 0.72776 0.09925 0.91104 1
Li15 Li 1 0.91074 0.26606 0.72610 1
Li16 Li 1 0.26399 0.91088 0.09743 1
Li17 Li 1 0.26501 0.09873 0.72654 1
Li18 Li 1 0.72654 0.26501 0.09872 1
Li19 Li 1 0.09743 0.26399 0.91088 1
Li20 Li 1 0.09924 0.91104 0.72776 1
Li21 Li 1 0.91104 0.72776 0.09924 1
Li22 Li 1 0.26606 0.72609 0.91074 1
Li23 Li 1 0.72609 0.91074 0.26606 1
Li24 Li 1 0.91088 0.09744 0.26399 1
B1 B 1 0.16995 0.34103 0.97970 1
B2 B 1 0.07992 0.90880 0.27052 1
B3 B 1 0.91034 0.08042 0.74094 1
B4 B 1 0.74090 0.27241 0.90877 1
B5 B 1 0.27138 0.73922 0.08113 1
B6 B 1 0.27051 0.07992 0.90880 1
B7 B 1 0.90880 0.27052 0.07992 1
B8 B 1 0.08112 0.27139 0.73922 1
B9 B 1 0.08041 0.74094 0.91034 1
B10 B 1 0.74093 0.91034 0.08041 1
B11 B 1 0.27240 0.90877 0.74090 1
B12 B 1 0.90877 0.74090 0.27241 1
B13 B 1 0.73922 0.08112 0.27139 1
B14 B 1 0.33961 0.16969 0.50906 1
B15 B 1 0.50920 0.97765 0.34121 1
B16 B 1 0.97875 0.51057 0.16916 1
B17 B 1 0.97970 0.16996 0.34103 1
B18 B 1 0.34103 0.97970 0.16996 1
B19 B 1 0.16916 0.97875 0.51057 1
B20 B 1 0.16969 0.50906 0.33961 1
B21 B 1 0.50906 0.33961 0.16969 1
B22 B 1 0.97765 0.34121 0.50921 1
B23 B 1 0.34121 0.50920 0.97765 1
B24 B 1 0.51057 0.16916 0.97875 1
C1 C 1 0.13523 0.29953 0.95633 1
C2 C 1 0.14380 0.37365 0.89919 1
C3 C 1 0.24562 0.25363 0.97441 1
C4 C 1 0.26013 0.30556 0.98787 1
C5 C 1 0.08116 0.34224 0.05330 1
C6 C 1 0.14732 0.30294 0.07999 1
C7 C 1 0.14593 0.43068 0.98426 1
C8 C 1 0.20705 0.41600 0.91376 1
C9 C 1 0.13030 0.63446 0.35364 1
C10 C 1 0.99663 0.72228 0.27768 1
C11 C 1 0.99332 0.79862 0.25875 1
C12 C 1 0.19774 0.72586 0.16998 1
C13 C 1 0.12972 0.77695 0.14877 1
C14 C 1 0.10398 0.81911 0.26602 1
C15 C 1 0.05171 0.78623 0.33776 1
C16 C 1 0.11465 0.95040 0.29375 1
C17 C 1 0.10637 0.87616 0.35084 1
C18 C 1 0.98967 0.94419 0.26252 1
C19 C 1 0.10249 0.94709 0.17021 1
C20 C 1 0.04300 0.83372 0.33660 1
C21 C 1 0.11996 0.61558 0.89614 1
C22 C 1 0.25653 0.45153 0.99148 1
C23 C 1 0.12040 0.47296 0.10145 1
C24 C 1 0.19841 0.46344 0.91266 1
C25 C 1 0.46115 0.19925 0.42306 1
C26 C 1 0.42239 0.91303 0.46227 1
C27 C 1 0.91271 0.42511 0.19925 1
C28 C 1 0.91266 0.19841 0.46344 1
C29 C 1 0.46344 0.91266 0.19841 1
C30 C 1 0.19925 0.91271 0.42511 1
C31 C 1 0.19925 0.42307 0.46115 1
C32 C 1 0.42306 0.46115 0.19925 1
C33 C 1 0.91303 0.46226 0.42240 1
C34 C 1 0.46226 0.42239 0.91303 1
C35 C 1 0.42511 0.19925 0.91271 1
C36 C 1 0.47842 0.11904 0.29907 1
C37 C 1 0.29637 0.10032 0.48052 1
C38 C 1 0.10241 0.30268 0.12143 1
C39 C 1 0.10145 0.12040 0.47296 1
C40 C 1 0.47295 0.10145 0.12040 1
C41 C 1 0.12143 0.10241 0.30267 1
C42 C 1 0.11904 0.29907 0.47843 1
C43 C 1 0.29907 0.47842 0.11904 1
C44 C 1 0.10032 0.48052 0.29636 1
C45 C 1 0.48053 0.29636 0.10031 1
C46 C 1 0.30268 0.12143 0.10241 1
C47 C 1 0.44971 0.25599 0.29805 1
C48 C 1 0.29893 0.99040 0.45186 1
C49 C 1 0.99029 0.30028 0.25954 1
C50 C 1 0.99148 0.25654 0.45153 1
C51 C 1 0.45153 0.99148 0.25654 1
C52 C 1 0.25954 0.99029 0.30029 1
C53 C 1 0.25600 0.29805 0.44971 1
C54 C 1 0.29805 0.44971 0.25600 1
C55 C 1 0.99040 0.45186 0.29893 1
C56 C 1 0.45186 0.29893 0.99040 1
C57 C 1 0.30028 0.25954 0.99030 1
C58 C 1 0.61231 0.12341 0.36844 1
C59 C 1 0.37219 0.89602 0.61502 1
C60 C 1 0.89607 0.36677 0.12348 1
C61 C 1 0.89614 0.11997 0.61558 1
C62 C 1 0.61558 0.89613 0.11997 1
C63 C 1 0.12348 0.89607 0.36677 1
C64 C 1 0.12342 0.36844 0.61231 1
C65 C 1 0.36844 0.61231 0.12342 1
C66 C 1 0.89602 0.61502 0.37219 1
C67 C 1 0.61502 0.37219 0.89602 1
C68 C 1 0.36677 0.12348 0.89607 1
C69 C 1 0.83604 0.04234 0.78900 1
C70 C 1 0.79006 0.33612 0.83511 1
C71 C 1 0.33692 0.78604 0.04328 1
C72 C 1 0.33660 0.04300 0.83372 1
C73 C 1 0.83372 0.33661 0.04300 1
C74 C 1 0.04328 0.33693 0.78604 1
C75 C 1 0.04233 0.78900 0.83603 1
C76 C 1 0.78900 0.83604 0.04233 1
C77 C 1 0.33611 0.83512 0.79006 1
C78 C 1 0.83511 0.79006 0.33611 1
C79 C 1 0.78604 0.04328 0.33693 1
C80 C 1 0.95388 0.10428 0.77379 1
C81 C 1 0.77593 0.17218 0.95073 1
C82 C 1 0.17116 0.77985 0.10382 1
C83 C 1 0.17021 0.10249 0.94709 1
C84 C 1 0.94708 0.17021 0.10249 1
C85 C 1 0.10382 0.17117 0.77985 1
C86 C 1 0.10428 0.77379 0.95388 1
C87 C 1 0.77379 0.95389 0.10428 1
C88 C 1 0.17218 0.95073 0.77593 1
C89 C 1 0.95073 0.77593 0.17218 1
C90 C 1 0.77986 0.10382 0.17117 1
C91 C 1 0.94744 0.99158 0.80393 1
C92 C 1 0.80298 0.26176 0.94667 1
C93 C 1 0.26206 0.80164 0.99139 1
C94 C 1 0.26253 0.98967 0.94418 1
C95 C 1 0.94418 0.26253 0.98967 1
C96 C 1 0.99138 0.26206 0.80164 1
C97 C 1 0.99157 0.80393 0.94744 1
C98 C 1 0.80393 0.94745 0.99157 1
C99 C 1 0.26176 0.94668 0.80298 1
C100 C 1 0.94667 0.80298 0.26177 1
C101 C 1 0.80164 0.99138 0.26206 1
C102 C 1 0.87680 0.10361 0.66857 1
C103 C 1 0.66803 0.35604 0.87717 1
C104 C 1 0.35219 0.66527 0.10679 1
C105 C 1 0.35084 0.10637 0.87616 1
C106 C 1 0.87616 0.35084 0.10637 1
C107 C 1 0.10679 0.35220 0.66527 1
C108 C 1 0.10360 0.66857 0.87680 1
C109 C 1 0.66857 0.87680 0.10360 1
C110 C 1 0.35604 0.87717 0.66803 1
C111 C 1 0.87717 0.66803 0.35604 1
C112 C 1 0.66527 0.10679 0.35220 1
C113 C 1 0.95003 0.11467 0.64129 1
C114 C 1 0.64148 0.29587 0.94694 1
C115 C 1 0.29477 0.63977 0.11594 1
C116 C 1 0.29374 0.11466 0.95040 1
C117 C 1 0.95040 0.29375 0.11466 1
C118 C 1 0.11594 0.29477 0.63977 1
C119 C 1 0.11466 0.64129 0.95003 1
C120 C 1 0.64129 0.95003 0.11467 1
C121 C 1 0.29587 0.94693 0.64148 1
C122 C 1 0.94693 0.64148 0.29587 1
C123 C 1 0.63977 0.11594 0.29477 1
C124 C 1 0.78872 0.05097 0.82689 1
C125 C 1 0.82777 0.33695 0.78770 1
C126 C 1 0.33737 0.82475 0.05094 1
C127 C 1 0.33776 0.05172 0.78623 1
C128 C 1 0.78623 0.33776 0.05171 1
C129 C 1 0.05094 0.33737 0.82475 1
C130 C 1 0.05096 0.82689 0.78872 1
C131 C 1 0.82689 0.78873 0.05096 1
C132 C 1 0.33695 0.78771 0.82777 1
C133 C 1 0.78770 0.82778 0.33695 1
C134 C 1 0.82475 0.05094 0.33738 1
C135 C 1 0.82116 0.10432 0.81192 1
C136 C 1 0.81125 0.26713 0.81934 1
C137 C 1 0.26612 0.81059 0.10391 1
C138 C 1 0.26602 0.10398 0.81911 1
C139 C 1 0.81911 0.26602 0.10398 1
C140 C 1 0.10391 0.26612 0.81059 1
C141 C 1 0.10431 0.81192 0.82116 1
C142 C 1 0.81192 0.82117 0.10431 1
C143 C 1 0.26713 0.81934 0.81125 1
C144 C 1 0.81934 0.81126 0.26713 1
C145 C 1 0.81058 0.10391 0.26612 1
C146 C 1 0.77183 0.13099 0.95093 1
C147 C 1 0.95381 0.14961 0.76943 1
C148 C 1 0.14740 0.94733 0.12877 1
C149 C 1 0.14877 0.12973 0.77695 1
C150 C 1 0.77696 0.14877 0.12973 1
C151 C 1 0.12877 0.14740 0.94733 1
C152 C 1 0.13099 0.95092 0.77184 1
C153 C 1 0.95093 0.77184 0.13099 1
C154 C 1 0.14961 0.76942 0.95381 1
C155 C 1 0.76942 0.95382 0.14961 1
C156 C 1 0.94731 0.12877 0.14741 1
C157 C 1 0.72718 0.19943 0.90600 1
C158 C 1 0.90670 0.17016 0.72728 1
C159 C 1 0.16870 0.90741 0.19690 1
C160 C 1 0.16998 0.19775 0.72586 1
C161 C 1 0.72586 0.16998 0.19775 1
C162 C 1 0.19689 0.16870 0.90741 1
C163 C 1 0.19943 0.90600 0.72718 1
C164 C 1 0.90600 0.72718 0.19943 1
C165 C 1 0.17015 0.72728 0.90670 1
C166 C 1 0.72727 0.90670 0.17015 1
C167 C 1 0.90741 0.19690 0.16870 1
C168 C 1 0.80033 0.99388 0.95200 1
C169 C 1 0.95137 0.25975 0.79785 1
C170 C 1 0.26008 0.94951 0.99020 1
C171 C 1 0.25874 0.99333 0.79862 1
C172 C 1 0.79862 0.25874 0.99333 1
C173 C 1 0.99020 0.26009 0.94951 1
C174 C 1 0.99388 0.95201 0.80033 1
C175 C 1 0.95200 0.80033 0.99388 1
C176 C 1 0.25974 0.79785 0.95137 1
C177 C 1 0.79785 0.95137 0.25975 1
C178 C 1 0.94951 0.99021 0.26008 1
C179 C 1 0.72352 0.99813 0.00525 1
C180 C 1 0.00560 0.27725 0.72133 1
C181 C 1 0.27570 0.00427 0.99624 1
C182 C 1 0.27767 0.99663 0.72228 1
C183 C 1 0.72228 0.27768 0.99663 1
C184 C 1 0.99625 0.27570 0.00427 1
C185 C 1 0.99813 0.00526 0.72352 1
C186 C 1 0.00525 0.72352 0.99813 1
C187 C 1 0.27725 0.72133 0.00560 1
C188 C 1 0.72133 0.00560 0.27725 1
C189 C 1 0.00427 0.99625 0.27570 1
C190 C 1 0.63756 0.12703 0.88173 1
C191 C 1 0.87778 0.35393 0.63507 1
C192 C 1 0.35376 0.88314 0.12677 1
C193 C 1 0.35364 0.13030 0.63445 1
C194 C 1 0.63445 0.35364 0.13030 1
C195 C 1 0.12677 0.35375 0.88314 1
C196 C 1 0.12703 0.88173 0.63756 1
C197 C 1 0.88174 0.63756 0.12703 1
C198 C 1 0.35393 0.63507 0.87778 1
C199 C 1 0.63507 0.87779 0.35393 1
C200 C 1 0.88314 0.12677 0.35376 1
C201 C 1 0.41379 0.20795 0.46087 1
C202 C 1 0.46002 0.91395 0.41480 1
C203 C 1 0.91317 0.46375 0.20700 1
C204 C 1 0.91376 0.20705 0.41599 1
C205 C 1 0.41599 0.91376 0.20705 1
C206 C 1 0.20700 0.91317 0.46375 1
C207 C 1 0.20795 0.46088 0.41379 1
C208 C 1 0.46087 0.41379 0.20795 1
C209 C 1 0.91394 0.41480 0.46002 1
C210 C 1 0.41479 0.46002 0.91395 1
C211 C 1 0.46376 0.20700 0.91317 1
C212 C 1 0.42890 0.14562 0.43830 1
C213 C 1 0.43890 0.98285 0.43067 1
C214 C 1 0.98390 0.43936 0.14623 1
C215 C 1 0.98425 0.14593 0.43068 1
C216 C 1 0.43068 0.98425 0.14593 1
C217 C 1 0.14622 0.98391 0.43936 1
C218 C 1 0.14562 0.43830 0.42890 1
C219 C 1 0.43830 0.42890 0.14562 1
C220 C 1 0.98285 0.43067 0.43891 1
C221 C 1 0.43067 0.43891 0.98285 1
C222 C 1 0.43936 0.14623 0.98390 1
C223 C 1 0.29617 0.14569 0.47620 1
C224 C 1 0.47436 0.07789 0.29917 1
C225 C 1 0.07899 0.47003 0.14643 1
C226 C 1 0.07999 0.14732 0.30294 1
C227 C 1 0.30295 0.07999 0.14732 1
C228 C 1 0.14643 0.07899 0.47003 1
C229 C 1 0.14569 0.47620 0.29617 1
C230 C 1 0.47620 0.29616 0.14569 1
C231 C 1 0.07789 0.29917 0.47436 1
C232 C 1 0.29917 0.47436 0.07789 1
C233 C 1 0.47002 0.14643 0.07899 1
C234 C 1 0.34337 0.07989 0.52273 1
C235 C 1 0.52283 0.05058 0.34420 1
C236 C 1 0.05232 0.52383 0.08030 1
C237 C 1 0.05329 0.08117 0.34224 1
C238 C 1 0.34224 0.05330 0.08117 1
C239 C 1 0.08030 0.05232 0.52383 1
C240 C 1 0.07989 0.52272 0.34337 1
C241 C 1 0.52272 0.34337 0.07989 1
C242 C 1 0.05057 0.34420 0.52284 1
C243 C 1 0.34420 0.52284 0.05058 1
C244 C 1 0.52383 0.08030 0.05232 1
C245 C 1 0.30236 0.25838 0.44602 1
C246 C 1 0.44715 0.98844 0.30320 1
C247 C 1 0.98819 0.44806 0.25885 1
C248 C 1 0.98787 0.26013 0.30556 1
C249 C 1 0.30556 0.98786 0.26013 1
C250 C 1 0.25885 0.98819 0.44807 1
C251 C 1 0.25839 0.44602 0.30236 1
C252 C 1 0.44602 0.30236 0.25838 1
C253 C 1 0.98844 0.30320 0.44716 1
C254 C 1 0.30320 0.44715 0.98845 1
C255 C 1 0.44806 0.25885 0.98819 1
C256 C 1 0.25202 0.24502 0.52656 1
C257 C 1 0.52787 0.97247 0.25328 1
C258 C 1 0.97272 0.52840 0.24479 1
C259 C 1 0.97441 0.24562 0.25363 1
C260 C 1 0.25362 0.97441 0.24562 1
C261 C 1 0.24479 0.97272 0.52840 1
C262 C 1 0.24502 0.52655 0.25202 1
C263 C 1 0.52656 0.25202 0.24502 1
C264 C 1 0.97246 0.25328 0.52787 1
C265 C 1 0.25328 0.52787 0.97246 1
C266 C 1 0.52840 0.24479 0.97272 1
C267 C 1 0.37293 0.14680 0.58147 1
C268 C 1 0.58206 0.89393 0.37276 1
C269 C 1 0.89794 0.58460 0.14363 1
C270 C 1 0.89919 0.14381 0.37365 1
C271 C 1 0.37365 0.89919 0.14380 1
C272 C 1 0.14364 0.89794 0.58459 1
C273 C 1 0.14680 0.58147 0.37293 1
C274 C 1 0.58147 0.37293 0.14680 1
C275 C 1 0.89393 0.37277 0.58206 1
C276 C 1 0.37277 0.58206 0.89393 1
C277 C 1 0.58460 0.14363 0.89794 1
C278 C 1 0.29994 0.13528 0.60871 1
C279 C 1 0.60860 0.95418 0.30312 1
C280 C 1 0.95550 0.61002 0.13433 1
C281 C 1 0.95633 0.13523 0.29953 1
C282 C 1 0.29953 0.95633 0.13524 1
C283 C 1 0.13433 0.95550 0.61002 1
C284 C 1 0.13528 0.60871 0.29994 1
C285 C 1 0.60871 0.29994 0.13528 1
C286 C 1 0.95418 0.30312 0.60861 1
C287 C 1 0.30312 0.60861 0.95418 1
C288 C 1 0.61002 0.13433 0.95550 1
N1 N 1 0.14934 0.33867 0.94627 1
N2 N 1 0.22505 0.30176 0.97743 1
N3 N 1 0.13360 0.32823 0.03622 1
N4 N 1 0.17305 0.39510 0.95980 1
N5 N 1 0.12319 0.65139 0.30771 1
N6 N 1 0.02461 0.74780 0.26878 1
N7 N 1 0.14661 0.74291 0.19026 1
N8 N 1 0.08990 0.77733 0.29323 1
N9 N 1 0.10059 0.91121 0.30386 1
N10 N 1 0.02482 0.94807 0.27280 1
N11 N 1 0.11624 0.92158 0.21398 1
N12 N 1 0.07686 0.85470 0.29046 1
N13 N 1 0.12679 0.59862 0.94222 1
N14 N 1 0.22527 0.50236 0.98140 1
N15 N 1 0.10345 0.50688 0.05998 1
N16 N 1 0.16012 0.47240 0.95714 1
N17 N 1 0.47037 0.16018 0.40886 1
N18 N 1 0.40913 0.95651 0.47198 1
N19 N 1 0.95733 0.40978 0.16114 1
N20 N 1 0.95714 0.16012 0.47239 1
N21 N 1 0.47240 0.95714 0.16012 1
N22 N 1 0.16113 0.95733 0.40978 1
N23 N 1 0.16018 0.40886 0.47037 1
N24 N 1 0.40886 0.47037 0.16018 1
N25 N 1 0.95651 0.47198 0.40914 1
N26 N 1 0.47198 0.40914 0.95651 1
N27 N 1 0.40978 0.16114 0.95733 1
N28 N 1 0.50891 0.10171 0.32742 1
N29 N 1 0.32613 0.05905 0.50976 1
N30 N 1 0.06093 0.32743 0.10446 1
N31 N 1 0.05998 0.10345 0.50688 1
N32 N 1 0.50688 0.05998 0.10345 1
N33 N 1 0.10446 0.06094 0.32743 1
N34 N 1 0.10170 0.32742 0.50892 1
N35 N 1 0.32742 0.50892 0.10170 1
N36 N 1 0.05905 0.50976 0.32613 1
N37 N 1 0.50976 0.32613 0.05904 1
N38 N 1 0.32743 0.10446 0.06094 1
N39 N 1 0.50042 0.22448 0.28950 1
N40 N 1 0.28991 0.98062 0.50248 1
N41 N 1 0.98181 0.29096 0.22700 1
N42 N 1 0.98141 0.22527 0.50236 1
N43 N 1 0.50236 0.98141 0.22527 1
N44 N 1 0.22700 0.98181 0.29097 1
N45 N 1 0.22448 0.28950 0.50042 1
N46 N 1 0.28950 0.50042 0.22448 1
N47 N 1 0.98062 0.50248 0.28991 1
N48 N 1 0.50248 0.28991 0.98062 1
N49 N 1 0.29096 0.22700 0.98182 1
N50 N 1 0.59651 0.12902 0.33222 1
N51 N 1 0.33423 0.93991 0.59854 1
N52 N 1 0.94276 0.33079 0.12857 1
N53 N 1 0.94222 0.12679 0.59862 1
N54 N 1 0.59862 0.94222 0.12679 1
N55 N 1 0.12856 0.94276 0.33079 1
N56 N 1 0.12902 0.33222 0.59651 1
N57 N 1 0.33221 0.59651 0.12902 1
N58 N 1 0.93991 0.59854 0.33423 1
N59 N 1 0.59854 0.33423 0.93991 1
N60 N 1 0.33079 0.12857 0.94276 1
N61 N 1 0.85672 0.07689 0.77929 1
N62 N 1 0.77937 0.29122 0.85529 1
N63 N 1 0.29110 0.77687 0.07756 1
N64 N 1 0.29046 0.07686 0.85470 1
N65 N 1 0.85470 0.29047 0.07686 1
N66 N 1 0.07755 0.29111 0.77688 1
N67 N 1 0.07688 0.77929 0.85672 1
N68 N 1 0.77929 0.85672 0.07688 1
N69 N 1 0.29122 0.85529 0.77937 1
N70 N 1 0.85528 0.77937 0.29122 1
N71 N 1 0.77687 0.07755 0.29111 1
N72 N 1 0.92368 0.11755 0.74655 1
N73 N 1 0.74705 0.21615 0.92198 1
N74 N 1 0.21485 0.74686 0.11751 1
N75 N 1 0.21398 0.11624 0.92158 1
N76 N 1 0.92157 0.21398 0.11624 1
N77 N 1 0.11751 0.21486 0.74686 1
N78 N 1 0.11755 0.74655 0.92368 1
N79 N 1 0.74654 0.92369 0.11755 1
N80 N 1 0.21615 0.92198 0.74705 1
N81 N 1 0.92198 0.74705 0.21615 1
N82 N 1 0.74687 0.11751 0.21486 1
N83 N 1 0.95017 0.02573 0.75441 1
N84 N 1 0.75376 0.27417 0.94880 1
N85 N 1 0.27349 0.75231 0.02620 1
N86 N 1 0.27280 0.02482 0.94806 1
N87 N 1 0.94806 0.27280 0.02482 1
N88 N 1 0.02619 0.27350 0.75231 1
N89 N 1 0.02573 0.75441 0.95017 1
N90 N 1 0.75441 0.95017 0.02573 1
N91 N 1 0.27417 0.94880 0.75375 1
N92 N 1 0.94880 0.75376 0.27417 1
N93 N 1 0.75231 0.02620 0.27350 1
N94 N 1 0.91158 0.10011 0.68510 1
N95 N 1 0.68502 0.30688 0.90995 1
N96 N 1 0.30480 0.68293 0.10191 1
N97 N 1 0.30386 0.10059 0.91121 1
N98 N 1 0.91120 0.30386 0.10059 1
N99 N 1 0.10190 0.30481 0.68293 1
N100 N 1 0.10011 0.68510 0.91158 1
N101 N 1 0.68510 0.91158 0.10011 1
N102 N 1 0.30688 0.90995 0.68502 1
N103 N 1 0.90995 0.68502 0.30688 1
N104 N 1 0.68293 0.10191 0.30480 1
N105 N 1 0.77965 0.08983 0.84131 1
N106 N 1 0.84109 0.29341 0.77805 1
N107 N 1 0.29271 0.84016 0.08897 1
N108 N 1 0.29322 0.08991 0.77732 1
N109 N 1 0.77732 0.29323 0.08990 1
N110 N 1 0.08897 0.29271 0.84016 1
N111 N 1 0.08982 0.84131 0.77965 1
N112 N 1 0.84131 0.77965 0.08982 1
N113 N 1 0.29341 0.77805 0.84109 1
N114 N 1 0.77805 0.84109 0.29341 1
N115 N 1 0.84016 0.08897 0.29272 1
N116 N 1 0.74118 0.14829 0.92277 1
N117 N 1 0.92406 0.19093 0.74020 1
N118 N 1 0.18892 0.92233 0.14572 1
N119 N 1 0.19026 0.14662 0.74290 1
N120 N 1 0.74291 0.19026 0.14662 1
N121 N 1 0.14572 0.18892 0.92233 1
N122 N 1 0.14829 0.92276 0.74118 1
N123 N 1 0.92277 0.74118 0.14829 1
N124 N 1 0.19092 0.74020 0.92406 1
N125 N 1 0.74020 0.92407 0.19092 1
N126 N 1 0.92232 0.14572 0.18892 1
N127 N 1 0.74968 0.02562 0.96076 1
N128 N 1 0.96048 0.26935 0.74725 1
N129 N 1 0.26838 0.95889 0.02283 1
N130 N 1 0.26877 0.02462 0.74780 1
N131 N 1 0.74780 0.26877 0.02462 1
N132 N 1 0.02283 0.26838 0.95889 1
N133 N 1 0.02562 0.96076 0.74968 1
N134 N 1 0.96076 0.74968 0.02562 1
N135 N 1 0.26935 0.74724 0.96048 1
N136 N 1 0.74724 0.96048 0.26935 1
N137 N 1 0.95888 0.02283 0.26838 1
N138 N 1 0.65332 0.12133 0.91804 1
N139 N 1 0.91579 0.31012 0.65154 1
N140 N 1 0.30713 0.91917 0.12151 1
N141 N 1 0.30772 0.12319 0.65139 1
N142 N 1 0.65139 0.30772 0.12319 1
N143 N 1 0.12151 0.30713 0.91917 1
N144 N 1 0.12133 0.91804 0.65332 1
N145 N 1 0.91804 0.65332 0.12133 1
N146 N 1 0.31012 0.65154 0.91579 1
N147 N 1 0.65154 0.91580 0.31011 1
N148 N 1 0.91917 0.12151 0.30714 1
N149 N 1 0.39324 0.17322 0.47076 1
N150 N 1 0.47070 0.95884 0.39465 1
N151 N 1 0.95897 0.47298 0.17269 1
N152 N 1 0.95980 0.17306 0.39510 1
N153 N 1 0.39509 0.95980 0.17306 1
N154 N 1 0.17269 0.95897 0.47297 1
N155 N 1 0.17322 0.47076 0.39323 1
N156 N 1 0.47076 0.39323 0.17322 1
N157 N 1 0.95883 0.39465 0.47070 1
N158 N 1 0.39465 0.47070 0.95884 1
N159 N 1 0.47298 0.17269 0.95896 1
N160 N 1 0.32631 0.13250 0.50347 1
N161 N 1 0.50308 0.03389 0.32806 1
N162 N 1 0.03527 0.50288 0.13278 1
N163 N 1 0.03621 0.13361 0.32823 1
N164 N 1 0.32823 0.03621 0.13361 1
N165 N 1 0.13278 0.03527 0.50288 1
N166 N 1 0.13250 0.50347 0.32631 1
N167 N 1 0.50347 0.32631 0.13250 1
N168 N 1 0.03389 0.32806 0.50308 1
N169 N 1 0.32806 0.50308 0.03389 1
N170 N 1 0.50288 0.13278 0.03526 1
N171 N 1 0.29980 0.22437 0.49557 1
N172 N 1 0.49637 0.97598 0.30111 1
N173 N 1 0.97664 0.49741 0.22410 1
N174 N 1 0.97743 0.22505 0.30176 1
N175 N 1 0.30176 0.97743 0.22505 1
N176 N 1 0.22410 0.97664 0.49741 1
N177 N 1 0.22437 0.49556 0.29980 1
N178 N 1 0.49557 0.29980 0.22437 1
N179 N 1 0.97597 0.30112 0.49638 1
N180 N 1 0.30111 0.49638 0.97598 1
N181 N 1 0.49741 0.22410 0.97664 1
N182 N 1 0.33830 0.15006 0.56492 1
N183 N 1 0.56507 0.94313 0.34005 1
N184 N 1 0.94540 0.56689 0.14840 1
N185 N 1 0.94626 0.14935 0.33867 1
N186 N 1 0.33867 0.94626 0.14935 1
N187 N 1 0.14840 0.94539 0.56689 1
N188 N 1 0.15006 0.56492 0.33830 1
N189 N 1 0.56492 0.33830 0.15006 1
N190 N 1 0.94313 0.34005 0.56507 1
N191 N 1 0.34005 0.56507 0.94313 1
N192 N 1 0.56689 0.14840 0.94540 1
#End of data

data_frl
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
frl/Li-N 2.05-2.15/H-H 1.94-6.60
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_frl.cif. 
;
_cell_length_a                      10.0103
_cell_length_b                      22.5267
_cell_length_c                      23.715
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        5347.709
_cell_formula_units_Z               10
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.85591 0.48329 0.62088 1
H2 H 1 0.28065 0.07680 0.19006 1
H3 H 1 0.89509 0.64325 0.52980 1
H4 H 1 0.14550 0.18610 0.95199 1
H5 H 1 0.72547 0.30775 0.93381 1
H6 H 1 0.90368 0.12682 0.93596 1
H7 H 1 0.47372 0.36033 0.94479 1
H8 H 1 0.89294 0.29312 0.85214 1
H9 H 1 0.42671 0.18997 0.87398 1
H10 H 1 0.60447 0.71126 0.30484 1
H11 H 1 0.57325 0.71151 0.18902 1
H12 H 1 0.31729 0.35675 0.73846 1
H13 H 1 0.59280 0.87021 0.48818 1
H14 H 1 0.27715 0.44657 0.84606 1
H15 H 1 0.64471 0.03570 0.40529 1
H16 H 1 0.35511 0.96430 0.40528 1
H17 H 1 0.64471 0.96429 0.59466 1
H18 H 1 0.35509 0.03570 0.59467 1
H19 H 1 0.72281 0.55344 0.84607 1
H20 H 1 0.27720 0.55344 0.15393 1
H21 H 1 0.72285 0.44657 0.15394 1
H22 H 1 0.40706 0.12978 0.48817 1
H23 H 1 0.59279 0.12979 0.51179 1
H24 H 1 0.40707 0.87020 0.51180 1
H25 H 1 0.68269 0.64326 0.73846 1
H26 H 1 0.31730 0.64326 0.26154 1
H27 H 1 0.68270 0.35675 0.26154 1
H28 H 1 0.42677 0.28850 0.18901 1
H29 H 1 0.57325 0.28849 0.81098 1
H30 H 1 0.42675 0.71151 0.81099 1
H31 H 1 0.39553 0.28875 0.30484 1
H32 H 1 0.60447 0.28874 0.69515 1
H33 H 1 0.39553 0.71126 0.69516 1
H34 H 1 0.57328 0.81005 0.87399 1
H35 H 1 0.42673 0.81005 0.12601 1
H36 H 1 0.57329 0.18996 0.12602 1
H37 H 1 0.10704 0.70689 0.85213 1
H38 H 1 0.89296 0.70689 0.14787 1
H39 H 1 0.10707 0.29312 0.14786 1
H40 H 1 0.52629 0.63968 0.94479 1
H41 H 1 0.47372 0.63968 0.05521 1
H42 H 1 0.52629 0.36033 0.05520 1
H43 H 1 0.09632 0.87319 0.93596 1
H44 H 1 0.90368 0.87319 0.06404 1
H45 H 1 0.09632 0.12682 0.06404 1
H46 H 1 0.27453 0.69225 0.93380 1
H47 H 1 0.72547 0.69225 0.06620 1
H48 H 1 0.27453 0.30775 0.06619 1
H49 H 1 0.85449 0.81392 0.95199 1
H50 H 1 0.14551 0.81392 0.04801 1
H51 H 1 0.85450 0.18610 0.04801 1
H52 H 1 0.10490 0.35675 0.52980 1
H53 H 1 0.89508 0.35675 0.47020 1
H54 H 1 0.10491 0.64325 0.47020 1
H55 H 1 0.71935 0.92321 0.19006 1
H56 H 1 0.28065 0.92321 0.80994 1
H57 H 1 0.71935 0.07679 0.80994 1
H58 H 1 0.14409 0.51670 0.62087 1
H59 H 1 0.85591 0.51671 0.37912 1
H60 H 1 0.14409 0.48329 0.37912 1
H61 H 1 0.64409 0.98330 0.87913 1
H62 H 1 0.35591 0.01671 0.87912 1
H63 H 1 0.64409 0.01671 0.12088 1
H64 H 1 0.21934 0.57679 0.30994 1
H65 H 1 0.78065 0.42321 0.30994 1
H66 H 1 0.21934 0.42321 0.69006 1
H67 H 1 0.60491 0.14325 0.97020 1
H68 H 1 0.39509 0.85675 0.97020 1
H69 H 1 0.60492 0.85675 0.02980 1
H70 H 1 0.35449 0.68608 0.54801 1
H71 H 1 0.64549 0.31391 0.54801 1
H72 H 1 0.35449 0.31391 0.45199 1
H73 H 1 0.77453 0.80775 0.56620 1
H74 H 1 0.22547 0.19225 0.56620 1
H75 H 1 0.77452 0.19225 0.43380 1
H76 H 1 0.59632 0.62681 0.56404 1
H77 H 1 0.40367 0.37318 0.56404 1
H78 H 1 0.59631 0.37319 0.43596 1
H79 H 1 0.02629 0.86032 0.55521 1
H80 H 1 0.97372 0.13967 0.55520 1
H81 H 1 0.02628 0.13968 0.44479 1
H82 H 1 0.60705 0.79311 0.64787 1
H83 H 1 0.39294 0.20688 0.64786 1
H84 H 1 0.60704 0.20689 0.35213 1
H85 H 1 0.07328 0.68995 0.62601 1
H86 H 1 0.92671 0.31003 0.62602 1
H87 H 1 0.07327 0.31005 0.37398 1
H88 H 1 0.89554 0.21127 0.19515 1
H89 H 1 0.10447 0.78875 0.19516 1
H90 H 1 0.89553 0.78874 0.80484 1
H91 H 1 0.92675 0.21151 0.31098 1
H92 H 1 0.07324 0.78849 0.31099 1
H93 H 1 0.92676 0.78849 0.68901 1
H94 H 1 0.18270 0.85674 0.76154 1
H95 H 1 0.81728 0.14325 0.76154 1
H96 H 1 0.18270 0.14327 0.23846 1
H97 H 1 0.90712 0.37024 0.01180 1
H98 H 1 0.09285 0.62982 0.01183 1
H99 H 1 0.90715 0.62982 0.98817 1
H100 H 1 0.22280 0.94656 0.65394 1
H101 H 1 0.77712 0.05342 0.65391 1
H102 H 1 0.22279 0.05345 0.34603 1
H103 H 1 0.85522 0.53572 0.09470 1
H104 H 1 0.14483 0.46431 0.09468 1
H105 H 1 0.85518 0.46431 0.90532 1
H106 H 1 0.14480 0.53572 0.90530 1
H107 H 1 0.77715 0.94657 0.34606 1
H108 H 1 0.09288 0.37024 0.98820 1
H109 H 1 0.81730 0.85675 0.23846 1
H110 H 1 0.07324 0.21151 0.68902 1
H111 H 1 0.10446 0.21127 0.80485 1
H112 H 1 0.92672 0.68996 0.37399 1
H113 H 1 0.39295 0.79312 0.35213 1
H114 H 1 0.97372 0.86032 0.44479 1
H115 H 1 0.40368 0.62682 0.43596 1
H116 H 1 0.22547 0.80775 0.43380 1
H117 H 1 0.64550 0.68608 0.45199 1
H118 H 1 0.39509 0.14325 0.02980 1
H119 H 1 0.78065 0.57679 0.69006 1
H120 H 1 0.35590 0.98330 0.12088 1
Li1 Li 1 0.00000 0.50000 0.50000 1
Li2 Li 1 0.22137 0.30509 0.87971 1
Li3 Li 1 0.77861 0.69493 0.87970 1
Li4 Li 1 0.22139 0.69493 0.12030 1
Li5 Li 1 0.77864 0.30509 0.12028 1
Li6 Li 1 0.27861 0.80507 0.62030 1
Li7 Li 1 0.72135 0.19491 0.62028 1
Li8 Li 1 0.27861 0.19493 0.37969 1
Li9 Li 1 0.72138 0.80508 0.37971 1
Li10 Li 1 0.50000 0.00000 0.00000 1
B1 B 1 0.00000 0.50000 0.00000 1
B2 B 1 0.70940 0.19431 0.86949 1
B3 B 1 0.29060 0.80569 0.86949 1
B4 B 1 0.70941 0.80569 0.13051 1
B5 B 1 0.29061 0.19432 0.13051 1
B6 B 1 0.79060 0.69431 0.63051 1
B7 B 1 0.20939 0.30569 0.63051 1
B8 B 1 0.79059 0.30569 0.36949 1
B9 B 1 0.20940 0.69431 0.36949 1
B10 B 1 0.49990 0.00000 0.50000 1
C1 C 1 0.85156 0.53062 0.61137 1
C2 C 1 0.31307 0.07689 0.14631 1
C3 C 1 0.87457 0.61146 0.56343 1
C4 C 1 0.05695 0.20017 0.92874 1
C5 C 1 0.62641 0.29143 0.92278 1
C6 C 1 0.93712 0.17018 0.92142 1
C7 C 1 0.50078 0.31679 0.92826 1
C8 C 1 0.92955 0.25700 0.87865 1
C9 C 1 0.47148 0.22930 0.89309 1
C10 C 1 0.64425 0.74243 0.27399 1
C11 C 1 0.62810 0.74195 0.21611 1
C12 C 1 0.25210 0.31807 0.74155 1
C13 C 1 0.62281 0.90292 0.45683 1
C14 C 1 0.21843 0.44355 0.88472 1
C15 C 1 0.65357 0.98836 0.41373 1
C16 C 1 0.34627 0.01164 0.41372 1
C17 C 1 0.65356 0.01163 0.58623 1
C18 C 1 0.34627 0.98836 0.58624 1
C19 C 1 0.78155 0.55648 0.88473 1
C20 C 1 0.21846 0.55648 0.11528 1
C21 C 1 0.78158 0.44355 0.11528 1
C22 C 1 0.37705 0.09708 0.45682 1
C23 C 1 0.62280 0.09707 0.54314 1
C24 C 1 0.37706 0.90291 0.54315 1
C25 C 1 0.74788 0.68194 0.74155 1
C26 C 1 0.25212 0.68194 0.25846 1
C27 C 1 0.74789 0.31808 0.25845 1
C28 C 1 0.37191 0.25806 0.21611 1
C29 C 1 0.62809 0.25805 0.78389 1
C30 C 1 0.37191 0.74195 0.78389 1
C31 C 1 0.35575 0.25758 0.27399 1
C32 C 1 0.64425 0.25757 0.72600 1
C33 C 1 0.35575 0.74242 0.72601 1
C34 C 1 0.52851 0.77071 0.89309 1
C35 C 1 0.47149 0.77071 0.10691 1
C36 C 1 0.52852 0.22930 0.10691 1
C37 C 1 0.07043 0.74301 0.87864 1
C38 C 1 0.92957 0.74301 0.12136 1
C39 C 1 0.07045 0.25700 0.12135 1
C40 C 1 0.49922 0.68322 0.92826 1
C41 C 1 0.50078 0.68322 0.07174 1
C42 C 1 0.49922 0.31679 0.07173 1
C43 C 1 0.06288 0.82983 0.92142 1
C44 C 1 0.93713 0.82983 0.07858 1
C45 C 1 0.06288 0.17018 0.07858 1
C46 C 1 0.37359 0.70858 0.92278 1
C47 C 1 0.62641 0.70858 0.07722 1
C48 C 1 0.37360 0.29143 0.07721 1
C49 C 1 0.94304 0.79985 0.92874 1
C50 C 1 0.05696 0.79985 0.07126 1
C51 C 1 0.94305 0.20017 0.07126 1
C52 C 1 0.12542 0.38853 0.56343 1
C53 C 1 0.87456 0.38854 0.43657 1
C54 C 1 0.12543 0.61147 0.43657 1
C55 C 1 0.68693 0.92312 0.14631 1
C56 C 1 0.31307 0.92312 0.85369 1
C57 C 1 0.68693 0.07689 0.85369 1
C58 C 1 0.14844 0.46938 0.61136 1
C59 C 1 0.85156 0.46938 0.38863 1
C60 C 1 0.14844 0.53062 0.38863 1
C61 C 1 0.64844 0.03062 0.88864 1
C62 C 1 0.35156 0.96938 0.88863 1
C63 C 1 0.64844 0.96938 0.11137 1
C64 C 1 0.18693 0.57689 0.35369 1
C65 C 1 0.81306 0.42312 0.35369 1
C66 C 1 0.18692 0.42311 0.64631 1
C67 C 1 0.62543 0.11147 0.93657 1
C68 C 1 0.37457 0.88854 0.93657 1
C69 C 1 0.62543 0.88854 0.06343 1
C70 C 1 0.44304 0.70016 0.57126 1
C71 C 1 0.55694 0.29984 0.57126 1
C72 C 1 0.44304 0.29984 0.42873 1
C73 C 1 0.87359 0.79143 0.57722 1
C74 C 1 0.12640 0.20857 0.57722 1
C75 C 1 0.87359 0.20858 0.42278 1
C76 C 1 0.56288 0.67017 0.57858 1
C77 C 1 0.43711 0.32982 0.57858 1
C78 C 1 0.56287 0.32983 0.42142 1
C79 C 1 0.99922 0.81678 0.57174 1
C80 C 1 0.00078 0.18321 0.57174 1
C81 C 1 0.99921 0.18322 0.42826 1
C82 C 1 0.57043 0.75699 0.62136 1
C83 C 1 0.42955 0.24300 0.62135 1
C84 C 1 0.57043 0.24301 0.37864 1
C85 C 1 0.02851 0.72929 0.60691 1
C86 C 1 0.97147 0.27070 0.60691 1
C87 C 1 0.02851 0.27071 0.39309 1
C88 C 1 0.85575 0.24243 0.22600 1
C89 C 1 0.14425 0.75758 0.22601 1
C90 C 1 0.85575 0.75758 0.77399 1
C91 C 1 0.87190 0.24195 0.28389 1
C92 C 1 0.12809 0.75805 0.28389 1
C93 C 1 0.87191 0.75805 0.71611 1
C94 C 1 0.24788 0.81807 0.75845 1
C95 C 1 0.75210 0.18193 0.75845 1
C96 C 1 0.24788 0.18194 0.24154 1
C97 C 1 0.87712 0.40295 0.04315 1
C98 C 1 0.12288 0.59711 0.04317 1
C99 C 1 0.87713 0.59711 0.95683 1
C100 C 1 0.28152 0.94353 0.61527 1
C101 C 1 0.71838 0.05645 0.61525 1
C102 C 1 0.28150 0.05647 0.38469 1
C103 C 1 0.84637 0.48838 0.08626 1
C104 C 1 0.15367 0.51166 0.08625 1
C105 C 1 0.84634 0.51166 0.91375 1
C106 C 1 0.15364 0.48838 0.91374 1
C107 C 1 0.71839 0.94354 0.38472 1
C108 C 1 0.12289 0.40295 0.95685 1
C109 C 1 0.75212 0.81807 0.24155 1
C110 C 1 0.12809 0.24195 0.71611 1
C111 C 1 0.14424 0.24243 0.77400 1
C112 C 1 0.97148 0.72929 0.39309 1
C113 C 1 0.42956 0.75699 0.37864 1
C114 C 1 0.00078 0.81679 0.42827 1
C115 C 1 0.43712 0.67018 0.42142 1
C116 C 1 0.12641 0.79143 0.42278 1
C117 C 1 0.55695 0.70016 0.42874 1
C118 C 1 0.37457 0.11147 0.06343 1
C119 C 1 0.81307 0.57689 0.64631 1
C120 C 1 0.35156 0.03062 0.11137 1
N1 N 1 0.89085 0.55258 0.55925 1
N2 N 1 0.32845 0.12905 0.11560 1
N3 N 1 0.85536 0.20686 0.88928 1
N4 N 1 0.40380 0.27753 0.90933 1
N5 N 1 0.05176 0.25475 0.90184 1
N6 N 1 0.60729 0.23495 0.90041 1
N7 N 1 0.72109 0.79080 0.29012 1
N8 N 1 0.69670 0.79098 0.19499 1
N9 N 1 0.19825 0.38982 0.91181 1
N10 N 1 0.59075 0.96222 0.45993 1
N11 N 1 0.40907 0.03777 0.45993 1
N12 N 1 0.59075 0.03777 0.54003 1
N13 N 1 0.40906 0.96222 0.54003 1
N14 N 1 0.80175 0.61022 0.91179 1
N15 N 1 0.19826 0.61023 0.08821 1
N16 N 1 0.80176 0.38982 0.08819 1
N17 N 1 0.30331 0.20903 0.19499 1
N18 N 1 0.69670 0.20902 0.80501 1
N19 N 1 0.30330 0.79098 0.80501 1
N20 N 1 0.27891 0.20921 0.29011 1
N21 N 1 0.72107 0.20920 0.70988 1
N22 N 1 0.27891 0.79079 0.70988 1
N23 N 1 0.39271 0.76506 0.90041 1
N24 N 1 0.60729 0.76506 0.09959 1
N25 N 1 0.39272 0.23495 0.09959 1
N26 N 1 0.94822 0.74526 0.90184 1
N27 N 1 0.05178 0.74526 0.09816 1
N28 N 1 0.94824 0.25475 0.09816 1
N29 N 1 0.59620 0.72248 0.90933 1
N30 N 1 0.40380 0.72248 0.09067 1
N31 N 1 0.59621 0.27753 0.09067 1
N32 N 1 0.14463 0.79315 0.88929 1
N33 N 1 0.85537 0.79315 0.11072 1
N34 N 1 0.14464 0.20686 0.11072 1
N35 N 1 0.67155 0.87096 0.11560 1
N36 N 1 0.32845 0.87096 0.88440 1
N37 N 1 0.67155 0.12905 0.88440 1
N38 N 1 0.10915 0.44741 0.55925 1
N39 N 1 0.89084 0.44742 0.44075 1
N40 N 1 0.10915 0.55259 0.44075 1
N41 N 1 0.60915 0.05259 0.94075 1
N42 N 1 0.39085 0.94742 0.94075 1
N43 N 1 0.60916 0.94742 0.05925 1
N44 N 1 0.17155 0.62904 0.38440 1
N45 N 1 0.82844 0.37096 0.38440 1
N46 N 1 0.17154 0.37095 0.61560 1
N47 N 1 0.64464 0.70685 0.61071 1
N48 N 1 0.35535 0.29315 0.61072 1
N49 N 1 0.64463 0.29315 0.38928 1
N50 N 1 0.09620 0.77752 0.59066 1
N51 N 1 0.90379 0.22247 0.59067 1
N52 N 1 0.09620 0.22248 0.40933 1
N53 N 1 0.44823 0.75474 0.59816 1
N54 N 1 0.55176 0.24525 0.59816 1
N55 N 1 0.44822 0.24526 0.40184 1
N56 N 1 0.89271 0.73494 0.59959 1
N57 N 1 0.10728 0.26505 0.59959 1
N58 N 1 0.89270 0.26506 0.40041 1
N59 N 1 0.77892 0.29081 0.20988 1
N60 N 1 0.22109 0.70921 0.20989 1
N61 N 1 0.77891 0.70921 0.79011 1
N62 N 1 0.80330 0.29098 0.30501 1
N63 N 1 0.19670 0.70902 0.30501 1
N64 N 1 0.80330 0.70902 0.69498 1
N65 N 1 0.30171 0.88979 0.58820 1
N66 N 1 0.69819 0.11019 0.58817 1
N67 N 1 0.30170 0.11021 0.41177 1
N68 N 1 0.90917 0.46225 0.04005 1
N69 N 1 0.09085 0.53781 0.04005 1
N70 N 1 0.90916 0.53781 0.95995 1
N71 N 1 0.09085 0.46225 0.95995 1
N72 N 1 0.69822 0.88980 0.41180 1
N73 N 1 0.19669 0.29098 0.69499 1
N74 N 1 0.22108 0.29080 0.79012 1
N75 N 1 0.10729 0.73495 0.40041 1
N76 N 1 0.55177 0.75474 0.40184 1
N77 N 1 0.90380 0.77752 0.40933 1
N78 N 1 0.35536 0.70685 0.38928 1
N79 N 1 0.82845 0.62904 0.61560 1
N80 N 1 0.39085 0.05259 0.05925 1
#End of data

data_gis
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
gis/H-H 2.66/Li-N 2.06-2.07
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: gis.cif. 
;
_cell_length_a                      16.2502
_cell_length_b                      16.2503
_cell_length_c                      15.3114
_cell_angle_alpha                   109.48
_cell_angle_beta                    109.48
_cell_angle_gamma                   111.49
_cell_volume                        3030.855
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.72958 0.69603 0.93721 1
H2 H 1 0.54645 0.87520 0.29300 1
H3 H 1 0.40022 0.56787 0.60777 1
H4 H 1 0.47925 0.39432 0.91551 1
H5 H 1 0.98181 0.56591 0.58660 1
H6 H 1 0.60569 0.52077 0.58449 1
H7 H 1 0.43408 0.01818 0.91338 1
H8 H 1 0.52077 0.60568 0.08448 1
H9 H 1 0.01820 0.43409 0.41339 1
H10 H 1 0.39432 0.47923 0.41550 1
H11 H 1 0.56593 0.98182 0.08660 1
H12 H 1 0.45954 0.79167 0.88990 1
H13 H 1 0.54046 0.20833 0.11009 1
H14 H 1 0.59978 0.43213 0.39222 1
H15 H 1 0.08372 0.25242 0.20903 1
H16 H 1 0.50882 0.73599 0.36537 1
H17 H 1 0.87247 0.14217 0.13558 1
H18 H 1 0.12479 0.45351 0.20695 1
H19 H 1 0.74754 0.91626 0.29096 1
H20 H 1 0.26399 0.49114 0.13458 1
H21 H 1 0.85781 0.12752 0.36444 1
H22 H 1 0.45356 0.12481 0.70698 1
H23 H 1 0.91628 0.74757 0.79096 1
H24 H 1 0.49120 0.26401 0.63462 1
H25 H 1 0.12754 0.85782 0.86441 1
H26 H 1 0.87521 0.54648 0.79302 1
H27 H 1 0.25247 0.08374 0.70902 1
H28 H 1 0.73601 0.50884 0.86540 1
H29 H 1 0.14220 0.87248 0.63555 1
H30 H 1 0.24912 0.78713 0.55633 1
H31 H 1 0.25540 0.14793 0.89609 1
H32 H 1 0.76042 0.36406 0.60953 1
H33 H 1 0.30399 0.27042 0.56279 1
H34 H 1 0.21287 0.75091 0.94367 1
H35 H 1 0.85210 0.74462 0.60387 1
H36 H 1 0.63595 0.23956 0.89047 1
H37 H 1 0.27043 0.30398 0.06278 1
H38 H 1 0.75090 0.21287 0.44368 1
H39 H 1 0.74461 0.85208 0.10389 1
H40 H 1 0.23961 0.63594 0.39047 1
H41 H 1 0.69604 0.72958 0.43718 1
H42 H 1 0.78713 0.24907 0.05632 1
H43 H 1 0.14793 0.25537 0.39610 1
H44 H 1 0.36406 0.76043 0.10952 1
H45 H 1 0.43212 0.59978 0.89220 1
H46 H 1 0.20833 0.54044 0.61007 1
H47 H 1 0.79167 0.45954 0.38991 1
H48 H 1 0.56789 0.40022 0.10779 1
Li1 Li 1 0.23172 0.76827 0.75000 1
Li2 Li 1 0.51774 0.48227 0.75000 1
Li3 Li 1 0.76828 0.23173 0.25000 1
Li4 Li 1 0.48227 0.51773 0.25000 1
B1 B 1 0.45265 0.20235 0.90666 1
B2 B 1 0.20236 0.45262 0.40664 1
B3 B 1 0.54736 0.79764 0.09333 1
B4 B 1 0.79765 0.54737 0.59334 1
C1 C 1 0.66936 0.69824 0.95275 1
C2 C 1 0.53475 0.79850 0.26050 1
C3 C 1 0.35435 0.48450 0.57348 1
C4 C 1 0.47827 0.34106 0.84843 1
C5 C 1 0.99429 0.63158 0.65279 1
C6 C 1 0.65895 0.52176 0.65157 1
C7 C 1 0.36842 0.00571 0.84719 1
C8 C 1 0.52175 0.65894 0.15156 1
C9 C 1 0.00572 0.36841 0.34720 1
C10 C 1 0.34106 0.47823 0.34842 1
C11 C 1 0.63159 0.99429 0.15280 1
C12 C 1 0.41207 0.78292 0.92654 1
C13 C 1 0.58793 0.21708 0.07345 1
C14 C 1 0.64565 0.51550 0.42651 1
C15 C 1 0.03864 0.27300 0.24044 1
C16 C 1 0.51680 0.72891 0.29566 1
C17 C 1 0.93407 0.21979 0.20470 1
C18 C 1 0.20149 0.46521 0.23946 1
C19 C 1 0.72698 0.96135 0.25956 1
C20 C 1 0.27108 0.48316 0.20431 1
C21 C 1 0.78020 0.06593 0.29531 1
C22 C 1 0.46526 0.20150 0.73949 1
C23 C 1 0.96136 0.72699 0.75955 1
C24 C 1 0.48321 0.27110 0.70434 1
C25 C 1 0.06594 0.78020 0.79529 1
C26 C 1 0.79852 0.53478 0.76052 1
C27 C 1 0.27303 0.03865 0.74043 1
C28 C 1 0.72893 0.51682 0.79567 1
C29 C 1 0.21981 0.93407 0.70467 1
C30 C 1 0.23807 0.71259 0.54271 1
C31 C 1 0.32186 0.22370 0.96402 1
C32 C 1 0.76674 0.36175 0.54024 1
C33 C 1 0.30177 0.33064 0.54724 1
C34 C 1 0.28741 0.76196 0.95727 1
C35 C 1 0.77632 0.67816 0.53595 1
C36 C 1 0.63826 0.23324 0.95976 1
C37 C 1 0.33065 0.30177 0.04724 1
C38 C 1 0.76195 0.28741 0.45728 1
C39 C 1 0.67815 0.77631 0.03596 1
C40 C 1 0.23328 0.63825 0.45976 1
C41 C 1 0.69825 0.66936 0.45274 1
C42 C 1 0.71259 0.23803 0.04272 1
C43 C 1 0.22370 0.32184 0.46402 1
C44 C 1 0.36175 0.76675 0.04023 1
C45 C 1 0.51550 0.64565 0.92650 1
C46 C 1 0.21708 0.58792 0.57344 1
C47 C 1 0.78292 0.41207 0.42655 1
C48 C 1 0.48452 0.35435 0.07349 1
N1 N 1 0.38380 0.43303 0.61577 1
N2 N 1 0.49105 0.35861 0.77304 1
N3 N 1 0.08617 0.71967 0.72799 1
N4 N 1 0.46220 0.24680 0.83231 1
N5 N 1 0.91548 0.63138 0.66780 1
N6 N 1 0.64140 0.50897 0.72697 1
N7 N 1 0.28032 0.91383 0.77197 1
N8 N 1 0.75321 0.53783 0.66769 1
N9 N 1 0.36863 0.08453 0.83218 1
N10 N 1 0.50897 0.64139 0.22695 1
N11 N 1 0.91384 0.28032 0.27200 1
N12 N 1 0.53781 0.75320 0.16768 1
N13 N 1 0.08453 0.36861 0.33218 1
N14 N 1 0.35860 0.49101 0.27302 1
N15 N 1 0.71969 0.08617 0.22801 1
N16 N 1 0.24679 0.46216 0.33229 1
N17 N 1 0.63138 0.91547 0.16780 1
N18 N 1 0.31942 0.77221 0.88603 1
N19 N 1 0.55826 0.22010 0.97978 1
N20 N 1 0.74254 0.57912 0.51880 1
N21 N 1 0.56697 0.61621 0.88421 1
N22 N 1 0.22780 0.68057 0.61395 1
N23 N 1 0.77989 0.44175 0.52022 1
N24 N 1 0.42089 0.25747 0.98119 1
N25 N 1 0.61621 0.56696 0.38421 1
N26 N 1 0.68058 0.22778 0.11396 1
N27 N 1 0.44175 0.77990 0.02021 1
N28 N 1 0.25747 0.42087 0.48118 1
N29 N 1 0.43305 0.38380 0.11578 1
N30 N 1 0.77221 0.31942 0.38604 1
N31 N 1 0.22011 0.55825 0.47977 1
N32 N 1 0.57912 0.74253 0.01880 1
#End of data

data_gme
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
gme/Li-N N=48; R=2.05-2.07/H-H N=244; R=2.63
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_gme.cif. 
;
_cell_length_a                      25.2216
_cell_length_b                      25.2216
_cell_length_c                      17.93
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        9877.708
_cell_formula_units_Z               12
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.77043 0.55926 0.33681 1
H2 H 1 0.78853 0.23000 0.33790 1
H3 H 1 0.44135 0.21143 0.33746 1
H4 H 1 0.77000 0.21147 0.16210 1
H5 H 1 0.44074 0.22956 0.16319 1
H6 H 1 0.78857 0.55864 0.16254 1
H7 H 1 0.22956 0.44074 0.66319 1
H8 H 1 0.21147 0.77000 0.66210 1
H9 H 1 0.55865 0.78858 0.66254 1
H10 H 1 0.22999 0.78853 0.83790 1
H11 H 1 0.55926 0.77044 0.83681 1
H12 H 1 0.66490 0.19541 0.98217 1
H13 H 1 0.53549 0.33505 0.98490 1
H14 H 1 0.79982 0.46700 0.98405 1
H15 H 1 0.66495 0.46451 0.51511 1
H16 H 1 0.80459 0.33510 0.51782 1
H17 H 1 0.53300 0.20019 0.51595 1
H18 H 1 0.33510 0.80459 0.01783 1
H19 H 1 0.46452 0.66495 0.01511 1
H20 H 1 0.20018 0.53300 0.01595 1
H21 H 1 0.33505 0.53549 0.48489 1
H22 H 1 0.19541 0.66490 0.48218 1
H23 H 1 0.19273 0.55309 0.49422 1
H24 H 1 0.35815 0.80315 0.49467 1
H25 H 1 0.44748 0.64389 0.49705 1
H26 H 1 0.19685 0.64185 0.00533 1
H27 H 1 0.44691 0.80727 0.00578 1
H28 H 1 0.35611 0.55253 0.00295 1
H29 H 1 0.80727 0.44691 0.50578 1
H30 H 1 0.64184 0.19685 0.50534 1
H31 H 1 0.55252 0.35611 0.50295 1
H32 H 1 0.80315 0.35815 0.99467 1
H33 H 1 0.55309 0.19273 0.99422 1
H34 H 1 0.98695 0.43122 0.50388 1
H35 H 1 0.44485 0.01350 0.50397 1
H36 H 1 0.56815 0.55480 0.50399 1
H37 H 1 0.98650 0.55514 0.99603 1
H38 H 1 0.56878 0.01305 0.99612 1
H39 H 1 0.44520 0.43185 0.99602 1
H40 H 1 0.01305 0.56878 0.49612 1
H41 H 1 0.55514 0.98650 0.49604 1
H42 H 1 0.43185 0.44520 0.49601 1
H43 H 1 0.01350 0.44486 0.00397 1
H44 H 1 0.43122 0.98695 0.00388 1
H45 H 1 0.68915 0.01278 0.15274 1
H46 H 1 0.32598 0.31265 0.14796 1
H47 H 1 0.98622 0.67541 0.14968 1
H48 H 1 0.68735 0.67401 0.35204 1
H49 H 1 0.98722 0.31085 0.34726 1
H50 H 1 0.32458 0.01378 0.35032 1
H51 H 1 0.31085 0.98722 0.84727 1
H52 H 1 0.67402 0.68735 0.85204 1
H53 H 1 0.01378 0.32459 0.85032 1
H54 H 1 0.31265 0.32599 0.64796 1
H55 H 1 0.01278 0.68915 0.65274 1
H56 H 1 0.01461 0.33356 0.69488 1
H57 H 1 0.31826 0.98488 0.69195 1
H58 H 1 0.66678 0.68011 0.69653 1
H59 H 1 0.01512 0.68174 0.80806 1
H60 H 1 0.66645 0.98539 0.80512 1
H61 H 1 0.31989 0.33322 0.80347 1
H62 H 1 0.98539 0.66645 0.30512 1
H63 H 1 0.68174 0.01512 0.30805 1
H64 H 1 0.33322 0.31988 0.30347 1
H65 H 1 0.98488 0.31826 0.19195 1
H66 H 1 0.33355 0.01461 0.19488 1
H67 H 1 0.73969 0.15014 0.93759 1
H68 H 1 0.41769 0.26191 0.93644 1
H69 H 1 0.84686 0.58817 0.93675 1
H70 H 1 0.73809 0.58230 0.56356 1
H71 H 1 0.84986 0.26031 0.56240 1
H72 H 1 0.41183 0.15314 0.56325 1
H73 H 1 0.26031 0.84986 0.06241 1
H74 H 1 0.58231 0.73809 0.06356 1
H75 H 1 0.15314 0.41183 0.06325 1
H76 H 1 0.26191 0.41770 0.43644 1
H77 H 1 0.15014 0.73969 0.43760 1
H78 H 1 0.15482 0.42446 0.44831 1
H79 H 1 0.26487 0.84585 0.44682 1
H80 H 1 0.58257 0.73356 0.44903 1
H81 H 1 0.15415 0.73513 0.05318 1
H82 H 1 0.57554 0.84518 0.05169 1
H83 H 1 0.26645 0.41743 0.05097 1
H84 H 1 0.84518 0.57554 0.55169 1
H85 H 1 0.73513 0.15415 0.55318 1
H86 H 1 0.41743 0.26645 0.55097 1
H87 H 1 0.84585 0.26487 0.94682 1
H88 H 1 0.42446 0.15482 0.94831 1
H89 H 1 0.93846 0.44790 0.35886 1
H90 H 1 0.51039 0.06200 0.36288 1
H91 H 1 0.55056 0.48929 0.36238 1
H92 H 1 0.93800 0.48961 0.13712 1
H93 H 1 0.55210 0.06154 0.14114 1
H94 H 1 0.51071 0.44944 0.13762 1
H95 H 1 0.06154 0.55210 0.64114 1
H96 H 1 0.48961 0.93800 0.63712 1
H97 H 1 0.44944 0.51071 0.63762 1
H98 H 1 0.06200 0.51039 0.86288 1
H99 H 1 0.44790 0.93846 0.85887 1
H100 H 1 0.75393 0.06103 0.03080 1
H101 H 1 0.31190 0.24475 0.02625 1
H102 H 1 0.93584 0.69063 0.02782 1
H103 H 1 0.75525 0.68810 0.47375 1
H104 H 1 0.93897 0.24607 0.46920 1
H105 H 1 0.30936 0.06416 0.47218 1
H106 H 1 0.24607 0.93897 0.96920 1
H107 H 1 0.68810 0.75525 0.97375 1
H108 H 1 0.06416 0.30937 0.97218 1
H109 H 1 0.24475 0.31190 0.52625 1
H110 H 1 0.06103 0.75393 0.53080 1
H111 H 1 0.04654 0.30588 0.55342 1
H112 H 1 0.26002 0.95463 0.55310 1
H113 H 1 0.69700 0.73779 0.55782 1
H114 H 1 0.04537 0.73998 0.94691 1
H115 H 1 0.69412 0.95346 0.94658 1
H116 H 1 0.26221 0.30301 0.94218 1
H117 H 1 0.95346 0.69412 0.44658 1
H118 H 1 0.73997 0.04538 0.44690 1
H119 H 1 0.30300 0.26221 0.44218 1
H120 H 1 0.95463 0.26002 0.05310 1
H121 H 1 0.30588 0.04654 0.05342 1
H122 H 1 0.84478 0.50000 0.21742 1
H123 H 1 0.65610 0.15532 0.21831 1
H124 H 1 0.50000 0.34401 0.21876 1
H125 H 1 0.84468 0.34390 0.28169 1
H126 H 1 0.50000 0.15523 0.28258 1
H127 H 1 0.65599 0.50000 0.28124 1
H128 H 1 0.15522 0.50000 0.78258 1
H129 H 1 0.34390 0.84468 0.78170 1
H130 H 1 0.50000 0.65599 0.78124 1
H131 H 1 0.15532 0.65610 0.71831 1
H132 H 1 0.50000 0.84478 0.71742 1
H133 H 1 0.34401 0.50000 0.71876 1
H134 H 1 0.73779 0.69700 0.05782 1
H135 H 1 0.69064 0.93584 0.52782 1
H136 H 1 0.48929 0.55056 0.86238 1
H137 H 1 0.73356 0.58257 0.94903 1
H138 H 1 0.58817 0.84686 0.43675 1
H139 H 1 0.68011 0.66678 0.19653 1
H140 H 1 0.67541 0.98622 0.64969 1
H141 H 1 0.55480 0.56815 0.00398 1
H142 H 1 0.64389 0.44747 0.99705 1
H143 H 1 0.46700 0.79982 0.48406 1
H144 H 1 0.21143 0.44136 0.83746 1
Li1 Li 1 0.10631 0.44721 0.60326 1
Li2 Li 1 0.34007 0.89296 0.60100 1
Li3 Li 1 0.55450 0.65987 0.60320 1
Li4 Li 1 0.10705 0.65993 0.89900 1
Li5 Li 1 0.55279 0.89368 0.89674 1
Li6 Li 1 0.34013 0.44551 0.89680 1
Li7 Li 1 0.89369 0.55279 0.39674 1
Li8 Li 1 0.65993 0.10705 0.39900 1
Li9 Li 1 0.44550 0.34013 0.39680 1
Li10 Li 1 0.89296 0.34007 0.10100 1
Li11 Li 1 0.44721 0.10632 0.10326 1
Li12 Li 1 0.65987 0.55449 0.10320 1
B1 B 1 0.67453 0.10746 0.07807 1
B2 B 1 0.43590 0.32612 0.07653 1
B3 B 1 0.89079 0.56571 0.07647 1
B4 B 1 0.67388 0.56409 0.42347 1
B5 B 1 0.89253 0.32547 0.42193 1
B6 B 1 0.43429 0.10921 0.42353 1
B7 B 1 0.32547 0.89254 0.92194 1
B8 B 1 0.56410 0.67388 0.92347 1
B9 B 1 0.10921 0.43429 0.92353 1
B10 B 1 0.32612 0.43591 0.57653 1
B11 B 1 0.10746 0.67453 0.57807 1
B12 B 1 0.56571 0.89079 0.57647 1
C1 C 1 0.77653 0.56381 0.39718 1
C2 C 1 0.78848 0.22344 0.39805 1
C3 C 1 0.43462 0.21204 0.39749 1
C4 C 1 0.77656 0.21152 0.10195 1
C5 C 1 0.43619 0.22347 0.10282 1
C6 C 1 0.78796 0.56537 0.10251 1
C7 C 1 0.22347 0.43619 0.60282 1
C8 C 1 0.21152 0.77656 0.60195 1
C9 C 1 0.56538 0.78796 0.60251 1
C10 C 1 0.22344 0.78848 0.89805 1
C11 C 1 0.56381 0.77653 0.89718 1
C12 C 1 0.76147 0.18021 0.98510 1
C13 C 1 0.42427 0.23966 0.98476 1
C14 C 1 0.81766 0.58067 0.98499 1
C15 C 1 0.76034 0.57572 0.51524 1
C16 C 1 0.81979 0.23853 0.51490 1
C17 C 1 0.41932 0.18234 0.51501 1
C18 C 1 0.23853 0.81979 0.01490 1
C19 C 1 0.57573 0.76034 0.01524 1
C20 C 1 0.18234 0.41933 0.01501 1
C21 C 1 0.23966 0.42428 0.48476 1
C22 C 1 0.18021 0.76147 0.48511 1
C23 C 1 0.18674 0.42776 0.49163 1
C24 C 1 0.23716 0.81390 0.49064 1
C25 C 1 0.57764 0.76145 0.49198 1
C26 C 1 0.18610 0.76284 0.00937 1
C27 C 1 0.57224 0.81327 0.00837 1
C28 C 1 0.23855 0.42236 0.00802 1
C29 C 1 0.81326 0.57224 0.50837 1
C30 C 1 0.76284 0.18610 0.50936 1
C31 C 1 0.42235 0.23855 0.50802 1
C32 C 1 0.81390 0.23716 0.99063 1
C33 C 1 0.42776 0.18673 0.99163 1
C34 C 1 0.62473 0.16709 0.01627 1
C35 C 1 0.54637 0.37568 0.01753 1
C36 C 1 0.82924 0.45560 0.01656 1
C37 C 1 0.62432 0.45363 0.48247 1
C38 C 1 0.83291 0.37526 0.48373 1
C39 C 1 0.54440 0.17076 0.48344 1
C40 C 1 0.37526 0.83291 0.98373 1
C41 C 1 0.45363 0.62432 0.98247 1
C42 C 1 0.17076 0.54440 0.98344 1
C43 C 1 0.37568 0.54637 0.51753 1
C44 C 1 0.16709 0.62474 0.51627 1
C45 C 1 0.16517 0.56908 0.52290 1
C46 C 1 0.40193 0.83137 0.52260 1
C47 C 1 0.43162 0.59979 0.52426 1
C48 C 1 0.16863 0.59807 0.97741 1
C49 C 1 0.43092 0.83483 0.97710 1
C50 C 1 0.40021 0.56839 0.97574 1
C51 C 1 0.83483 0.43092 0.47710 1
C52 C 1 0.59807 0.16863 0.47741 1
C53 C 1 0.56838 0.40021 0.47575 1
C54 C 1 0.83137 0.40193 0.02259 1
C55 C 1 0.56908 0.16517 0.02290 1
C56 C 1 0.90257 0.43344 0.40092 1
C57 C 1 0.53215 0.09891 0.40367 1
C58 C 1 0.56535 0.46699 0.40282 1
C59 C 1 0.90109 0.46784 0.09634 1
C60 C 1 0.56656 0.09743 0.09908 1
C61 C 1 0.53301 0.43464 0.09718 1
C62 C 1 0.09743 0.56656 0.59908 1
C63 C 1 0.46785 0.90109 0.59634 1
C64 C 1 0.43465 0.53301 0.59718 1
C65 C 1 0.09891 0.53215 0.90366 1
C66 C 1 0.43344 0.90257 0.90092 1
C67 C 1 0.98943 0.38931 0.50634 1
C68 C 1 0.40070 0.01153 0.50674 1
C69 C 1 0.61088 0.59839 0.50784 1
C70 C 1 0.98847 0.59930 0.99327 1
C71 C 1 0.61069 0.01057 0.99366 1
C72 C 1 0.40161 0.38912 0.99217 1
C73 C 1 0.01057 0.61069 0.49365 1
C74 C 1 0.59930 0.98847 0.49327 1
C75 C 1 0.38912 0.40161 0.49216 1
C76 C 1 0.01153 0.40071 0.00673 1
C77 C 1 0.38931 0.98943 0.00635 1
C78 C 1 0.70676 0.03488 0.01141 1
C79 C 1 0.33178 0.29199 0.00755 1
C80 C 1 0.96285 0.67027 0.00942 1
C81 C 1 0.70801 0.66821 0.49245 1
C82 C 1 0.96512 0.29324 0.48859 1
C83 C 1 0.32972 0.03715 0.49059 1
C84 C 1 0.29324 0.96512 0.98859 1
C85 C 1 0.66822 0.70801 0.99245 1
C86 C 1 0.03715 0.32972 0.99058 1
C87 C 1 0.29199 0.33179 0.50755 1
C88 C 1 0.03488 0.70676 0.51141 1
C89 C 1 0.01816 0.32345 0.53076 1
C90 C 1 0.30618 0.98321 0.53110 1
C91 C 1 0.67851 0.69198 0.53434 1
C92 C 1 0.01679 0.69381 0.96891 1
C93 C 1 0.67655 0.98184 0.96924 1
C94 C 1 0.30802 0.32149 0.96566 1
C95 C 1 0.98184 0.67655 0.46924 1
C96 C 1 0.69381 0.01679 0.46891 1
C97 C 1 0.32149 0.30802 0.46566 1
C98 C 1 0.98321 0.30619 0.03109 1
C99 C 1 0.32345 0.01816 0.03076 1
C100 C 1 0.68194 0.04298 0.18950 1
C101 C 1 0.36266 0.31947 0.18579 1
C102 C 1 0.95644 0.63820 0.18693 1
C103 C 1 0.68053 0.63734 0.31421 1
C104 C 1 0.95702 0.31806 0.31050 1
C105 C 1 0.36180 0.04355 0.31307 1
C106 C 1 0.31806 0.95702 0.81050 1
C107 C 1 0.63735 0.68053 0.81421 1
C108 C 1 0.04355 0.36180 0.81307 1
C109 C 1 0.31947 0.36266 0.68580 1
C110 C 1 0.04298 0.68195 0.68950 1
C111 C 1 0.04446 0.36706 0.73608 1
C112 C 1 0.32189 0.95528 0.73355 1
C113 C 1 0.63299 0.67672 0.73716 1
C114 C 1 0.04473 0.67811 0.76645 1
C115 C 1 0.63294 0.95554 0.76392 1
C116 C 1 0.32329 0.36701 0.76284 1
C117 C 1 0.95554 0.63294 0.26392 1
C118 C 1 0.67810 0.04473 0.26645 1
C119 C 1 0.36701 0.32328 0.26284 1
C120 C 1 0.95527 0.32189 0.23355 1
C121 C 1 0.36706 0.04446 0.23609 1
C122 C 1 0.88270 0.54691 0.22148 1
C123 C 1 0.66501 0.11733 0.22296 1
C124 C 1 0.45314 0.33566 0.22190 1
C125 C 1 0.88267 0.33499 0.27704 1
C126 C 1 0.45309 0.11730 0.27852 1
C127 C 1 0.66435 0.54686 0.27810 1
C128 C 1 0.11729 0.45309 0.77852 1
C129 C 1 0.33499 0.88267 0.77704 1
C130 C 1 0.54686 0.66435 0.77810 1
C131 C 1 0.11733 0.66501 0.72296 1
C132 C 1 0.54691 0.88271 0.72148 1
C133 C 1 0.33566 0.45314 0.72190 1
C134 C 1 0.67671 0.63299 0.23716 1
C135 C 1 0.63820 0.95644 0.68693 1
C136 C 1 0.69198 0.67851 0.03435 1
C137 C 1 0.67027 0.96285 0.50941 1
C138 C 1 0.59839 0.61089 0.00784 1
C139 C 1 0.46699 0.56536 0.90282 1
C140 C 1 0.59979 0.43161 0.02426 1
C141 C 1 0.45560 0.82924 0.51657 1
C142 C 1 0.76145 0.57764 0.99198 1
C143 C 1 0.58067 0.81766 0.48499 1
C144 C 1 0.21204 0.43463 0.89749 1
N1 N 1 0.73767 0.16368 0.05691 1
N2 N 1 0.42948 0.26307 0.05648 1
N3 N 1 0.83473 0.57305 0.05636 1
N4 N 1 0.73693 0.57052 0.44352 1
N5 N 1 0.83631 0.26233 0.44309 1
N6 N 1 0.42694 0.16527 0.44364 1
N7 N 1 0.26233 0.83631 0.94309 1
N8 N 1 0.57052 0.73693 0.94352 1
N9 N 1 0.16527 0.42695 0.94364 1
N10 N 1 0.26307 0.42948 0.55648 1
N11 N 1 0.16368 0.73767 0.55691 1
N12 N 1 0.17683 0.43530 0.56600 1
N13 N 1 0.25663 0.82312 0.56427 1
N14 N 1 0.56792 0.74298 0.56599 1
N15 N 1 0.17688 0.74337 0.93573 1
N16 N 1 0.56471 0.82317 0.93401 1
N17 N 1 0.25702 0.43208 0.93401 1
N18 N 1 0.82317 0.56470 0.43401 1
N19 N 1 0.74337 0.17688 0.43573 1
N20 N 1 0.43208 0.25702 0.43401 1
N21 N 1 0.82312 0.25663 0.06427 1
N22 N 1 0.43529 0.17683 0.06600 1
N23 N 1 0.62321 0.12375 0.06557 1
N24 N 1 0.50353 0.37756 0.06469 1
N25 N 1 0.87392 0.49790 0.06422 1
N26 N 1 0.62244 0.49647 0.43531 1
N27 N 1 0.87625 0.37679 0.43442 1
N28 N 1 0.50209 0.12609 0.43578 1
N29 N 1 0.37679 0.87625 0.93443 1
N30 N 1 0.49648 0.62244 0.93531 1
N31 N 1 0.12608 0.50210 0.93578 1
N32 N 1 0.37756 0.50353 0.56469 1
N33 N 1 0.12375 0.62321 0.56558 1
N34 N 1 0.12138 0.53269 0.57509 1
N35 N 1 0.40982 0.87655 0.57289 1
N36 N 1 0.46850 0.59119 0.57445 1
N37 N 1 0.12345 0.59018 0.92711 1
N38 N 1 0.46731 0.87862 0.92491 1
N39 N 1 0.40881 0.53150 0.92555 1
N40 N 1 0.87862 0.46731 0.42491 1
N41 N 1 0.59017 0.12345 0.42711 1
N42 N 1 0.53150 0.40881 0.42555 1
N43 N 1 0.87655 0.40982 0.07289 1
N44 N 1 0.53269 0.12138 0.07509 1
N45 N 1 0.66420 0.05322 0.02708 1
N46 N 1 0.39205 0.33567 0.02442 1
N47 N 1 0.94478 0.60943 0.02500 1
N48 N 1 0.66433 0.60794 0.47558 1
N49 N 1 0.94678 0.33580 0.47292 1
N50 N 1 0.39057 0.05522 0.47500 1
N51 N 1 0.33580 0.94678 0.97293 1
N52 N 1 0.60795 0.66433 0.97558 1
N53 N 1 0.05522 0.39057 0.97500 1
N54 N 1 0.33567 0.39206 0.52442 1
N55 N 1 0.05322 0.66420 0.52708 1
N56 N 1 0.03307 0.38376 0.54196 1
N57 N 1 0.35113 0.96753 0.54137 1
N58 N 1 0.61753 0.64779 0.54404 1
N59 N 1 0.03247 0.64887 0.95863 1
N60 N 1 0.61624 0.96693 0.95804 1
N61 N 1 0.35221 0.38247 0.95596 1
N62 N 1 0.96693 0.61624 0.45804 1
N63 N 1 0.64887 0.03247 0.45863 1
N64 N 1 0.38247 0.35221 0.45596 1
N65 N 1 0.96753 0.35113 0.04137 1
N66 N 1 0.38376 0.03307 0.04196 1
N67 N 1 0.67336 0.08959 0.16149 1
N68 N 1 0.41812 0.32760 0.15943 1
N69 N 1 0.90970 0.58278 0.15962 1
N70 N 1 0.67240 0.58188 0.34057 1
N71 N 1 0.91041 0.32664 0.33851 1
N72 N 1 0.41722 0.09030 0.34038 1
N73 N 1 0.32664 0.91041 0.83851 1
N74 N 1 0.58188 0.67240 0.84057 1
N75 N 1 0.09030 0.41722 0.84038 1
N76 N 1 0.32760 0.41812 0.65943 1
N77 N 1 0.08959 0.67336 0.66149 1
N78 N 1 0.09090 0.42454 0.71462 1
N79 N 1 0.33262 0.90849 0.71276 1
N80 N 1 0.57603 0.66653 0.71470 1
N81 N 1 0.09151 0.66738 0.78725 1
N82 N 1 0.57546 0.90911 0.78538 1
N83 N 1 0.33347 0.42398 0.78530 1
N84 N 1 0.90910 0.57546 0.28538 1
N85 N 1 0.66738 0.09151 0.28725 1
N86 N 1 0.42397 0.33347 0.28530 1
N87 N 1 0.90849 0.33262 0.21275 1
N88 N 1 0.42454 0.09090 0.21462 1
N89 N 1 0.66653 0.57602 0.21471 1
N90 N 1 0.58278 0.90970 0.65963 1
N91 N 1 0.64779 0.61753 0.04404 1
N92 N 1 0.60943 0.94478 0.52500 1
N93 N 1 0.59119 0.46850 0.07445 1
N94 N 1 0.49790 0.87392 0.56422 1
N95 N 1 0.74298 0.56792 0.06599 1
N96 N 1 0.57306 0.83473 0.55636 1
#End of data

data_gsi
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
gsi/H-H 2.00/Li-N 2.01-2.20
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_gsi.cif. 
;
_cell_length_a                      15.8225
_cell_length_b                      15.622
_cell_length_c                      15.3468
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        3793.408
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.87133 0.75215 0.53113 1
H2 H 1 0.71076 0.76334 0.60385 1
H3 H 1 0.71250 0.56209 0.42089 1
H4 H 1 0.53243 0.88446 0.76100 1
H5 H 1 0.61213 0.72581 0.76915 1
H6 H 1 0.41437 0.71027 0.58648 1
H7 H 1 0.74766 0.53707 0.87429 1
H8 H 1 0.74068 0.61513 0.71176 1
H9 H 1 0.56269 0.41445 0.71767 1
H10 H 1 0.56368 0.80810 0.95022 1
H11 H 1 0.70959 0.81672 0.85091 1
H12 H 1 0.76093 0.92069 0.09867 1
H13 H 1 0.93754 0.59305 0.80156 1
H14 H 1 0.82928 0.72911 0.83028 1
H15 H 1 0.06671 0.78942 0.93898 1
H16 H 1 0.80959 0.95239 0.59358 1
H17 H 1 0.80173 0.85164 0.74181 1
H18 H 1 0.92097 0.08463 0.80638 1
H19 H 1 0.95889 0.35768 0.78058 1
H20 H 1 0.85123 0.21945 0.75207 1
H21 H 1 0.54261 0.70938 0.05881 1
H22 H 1 0.75976 0.98686 0.34666 1
H23 H 1 0.28985 0.49145 0.67128 1
H24 H 1 0.03193 0.53609 0.72065 1
H25 H 1 0.34349 0.77879 0.96014 1
H26 H 1 0.20050 0.77074 0.85390 1
H27 H 1 0.72830 0.08596 0.58774 1
H28 H 1 0.53407 0.14111 0.75086 1
H29 H 1 0.65212 0.27399 0.75430 1
H30 H 1 0.92143 0.79295 0.40960 1
H31 H 1 0.77889 0.57726 0.11790 1
H32 H 1 0.28202 0.15096 0.71915 1
H33 H 1 0.41510 0.93527 0.81120 1
H34 H 1 0.15083 0.73757 0.54762 1
H35 H 1 0.27692 0.76342 0.67155 1
H36 H 1 0.80576 0.44224 0.93849 1
H37 H 1 0.04893 0.94879 0.87445 1
H38 H 1 0.17470 0.04525 0.95300 1
H39 H 1 0.95925 0.03657 0.11752 1
H40 H 1 0.13688 0.42958 0.86588 1
H41 H 1 0.03313 0.33049 0.97281 1
H42 H 1 0.48189 0.06100 0.58086 1
H43 H 1 0.39524 0.86229 0.10688 1
H44 H 1 0.32106 0.96531 0.98028 1
H45 H 1 0.03464 0.57138 0.51897 1
H46 H 1 0.53944 0.53951 0.15271 1
H47 H 1 0.65120 0.42180 0.08018 1
H48 H 1 0.94656 0.00219 0.45430 1
H49 H 1 0.47877 0.50812 0.88707 1
H50 H 1 0.15874 0.92881 0.60351 1
H51 H 1 0.07123 0.05574 0.69286 1
H52 H 1 0.57844 0.03278 0.00285 1
H53 H 1 0.81035 0.43901 0.44831 1
H54 H 1 0.90081 0.34284 0.56877 1
H55 H 1 0.97721 0.59137 0.01544 1
H56 H 1 0.48941 0.80833 0.47913 1
H57 H 1 0.60306 0.91081 0.38920 1
H58 H 1 0.40012 0.45914 0.54373 1
H59 H 1 0.58008 0.60127 0.40209 1
H60 H 1 0.49680 0.49213 0.28801 1
H61 H 1 0.32613 0.91632 0.44841 1
H62 H 1 0.77467 0.22428 0.09671 1
H63 H 1 0.63526 0.23776 0.98679 1
H64 H 1 0.92181 0.44702 0.30855 1
H65 H 1 0.77552 0.67172 0.27201 1
H66 H 1 0.30916 0.04001 0.58018 1
H67 H 1 0.46466 0.31638 0.94761 1
H68 H 1 0.15769 0.70230 0.32255 1
H69 H 1 0.05090 0.56287 0.34748 1
H70 H 1 0.20122 0.56038 0.02913 1
H71 H 1 0.79345 0.20261 0.34903 1
H72 H 1 0.93980 0.18117 0.44765 1
H73 H 1 0.54299 0.05312 0.20149 1
H74 H 1 0.72266 0.85370 0.23097 1
H75 H 1 0.27645 0.59408 0.81887 1
H76 H 1 0.06583 0.19941 0.58712 1
H77 H 1 0.39244 0.71429 0.28594 1
H78 H 1 0.49180 0.86094 0.28270 1
H79 H 1 0.33528 0.54718 0.28001 1
H80 H 1 0.36657 0.28859 0.20127 1
H81 H 1 0.33481 0.39006 0.05612 1
H82 H 1 0.54370 0.32808 0.39247 1
H83 H 1 0.30247 0.21342 0.35926 1
H84 H 1 0.42594 0.08637 0.37336 1
H85 H 1 0.30880 0.34621 0.54449 1
H86 H 1 0.19976 0.40820 0.30005 1
H87 H 1 0.07250 0.37713 0.42151 1
H88 H 1 0.12402 0.94338 0.18629 1
H89 H 1 0.12858 0.19360 0.29457 1
H90 H 1 0.14742 0.07270 0.42662 1
H91 H 1 0.94882 0.18811 0.10928 1
H92 H 1 0.19444 0.28581 0.16058 1
H93 H 1 0.07390 0.41120 0.19448 1
H94 H 1 0.20338 0.18965 0.96415 1
H95 H 1 0.28699 0.09498 0.20848 1
H96 H 1 0.42548 0.14646 0.10950 1
Li1 Li 1 0.58017 0.59623 0.59423 1
Li2 Li 1 0.38366 0.60031 0.08524 1
Li3 Li 1 0.09788 0.39488 0.61323 1
Li4 Li 1 0.61469 0.11296 0.40668 1
Li5 Li 1 0.39663 0.12245 0.90177 1
Li6 Li 1 0.11754 0.88029 0.40481 1
Li7 Li 1 0.90344 0.40104 0.10475 1
Li8 Li 1 0.88377 0.90400 0.92481 1
B1 B 1 0.36919 0.38649 0.36609 1
B2 B 1 0.62594 0.39433 0.89359 1
B3 B 1 0.88591 0.60310 0.40701 1
B4 B 1 0.10312 0.61385 0.87967 1
B5 B 1 0.57846 0.88612 0.12034 1
B6 B 1 0.91315 0.10170 0.61531 1
B7 B 1 0.12484 0.12041 0.12116 1
B8 B 1 0.40339 0.89034 0.61946 1
C1 C 1 0.81452 0.71520 0.51748 1
C2 C 1 0.73480 0.71866 0.55503 1
C3 C 1 0.73226 0.61637 0.46075 1
C4 C 1 0.51816 0.82490 0.72717 1
C5 C 1 0.55895 0.74629 0.72894 1
C6 C 1 0.45719 0.73528 0.63600 1
C7 C 1 0.70970 0.52128 0.81743 1
C8 C 1 0.70390 0.56147 0.73711 1
C9 C 1 0.61270 0.45863 0.73683 1
C10 C 1 0.62683 0.83015 0.96751 1
C11 C 1 0.70009 0.83571 0.91855 1
C12 C 1 0.72857 0.88938 0.04469 1
C13 C 1 0.94950 0.65488 0.83191 1
C14 C 1 0.89589 0.72320 0.84744 1
C15 C 1 0.01658 0.75622 0.90380 1
C16 C 1 0.82960 0.96588 0.66007 1
C17 C 1 0.82661 0.91635 0.73467 1
C18 C 1 0.88785 0.03491 0.76993 1
C19 C 1 0.96584 0.30420 0.73538 1
C20 C 1 0.91170 0.23550 0.72227 1
C21 C 1 0.51416 0.73059 0.11983 1
C22 C 1 0.70920 0.98181 0.29853 1
C23 C 1 0.23325 0.51580 0.70349 1
C24 C 1 0.10049 0.53847 0.72681 1
C25 C 1 0.29252 0.73166 0.95940 1
C26 C 1 0.80097 0.17519 0.41396 1
C27 C 1 0.76512 0.11488 0.53539 1
C28 C 1 0.53654 0.19775 0.79242 1
C29 C 1 0.59531 0.26340 0.79291 1
C30 C 1 0.97217 0.74974 0.39038 1
C31 C 1 0.80906 0.56359 0.18031 1
C32 C 1 0.31433 0.08922 0.71833 1
C33 C 1 0.38350 0.97980 0.76730 1
C34 C 1 0.20627 0.77903 0.54460 1
C35 C 1 0.76082 0.27241 0.04714 1
C36 C 1 0.77788 0.38520 0.96743 1
C37 C 1 0.48946 0.50088 0.35786 1
C38 C 1 0.11105 0.03070 0.97519 1
C39 C 1 0.43894 0.48309 0.49033 1
C40 C 1 0.08879 0.44826 0.91299 1
C41 C 1 0.03667 0.39995 0.96631 1
C42 C 1 0.50036 0.00691 0.54008 1
C43 C 1 0.42222 0.91280 0.06657 1
C44 C 1 0.38638 0.96429 0.00312 1
C45 C 1 0.98622 0.52174 0.51681 1
C46 C 1 0.54253 0.51471 0.08641 1
C47 C 1 0.59890 0.45675 0.05088 1
C48 C 1 0.99296 0.99795 0.50672 1
C49 C 1 0.50909 0.50094 0.95053 1
C50 C 1 0.10157 0.96301 0.58456 1
C51 C 1 0.05895 0.02639 0.62973 1
C52 C 1 0.51738 0.00203 0.01375 1
C53 C 1 0.87038 0.45209 0.48026 1
C54 C 1 0.91613 0.40494 0.54040 1
C55 C 1 0.00593 0.53283 0.99032 1
C56 C 1 0.50371 0.87620 0.48607 1
C57 C 1 0.56026 0.92803 0.44203 1
C58 C 1 0.99917 0.02651 0.06042 1
C59 C 1 0.53123 0.55399 0.41562 1
C60 C 1 0.04800 0.98198 0.93705 1
C61 C 1 0.29442 0.87103 0.49155 1
C62 C 1 0.26830 0.79156 0.60719 1
C63 C 1 0.69116 0.27798 0.99276 1
C64 C 1 0.88263 0.49494 0.27626 1
C65 C 1 0.80608 0.61109 0.25658 1
C66 C 1 0.32780 0.03492 0.64832 1
C67 C 1 0.49830 0.28646 0.89354 1
C68 C 1 0.09207 0.70101 0.34429 1
C69 C 1 0.03987 0.63103 0.35703 1
C70 C 1 0.22103 0.61934 0.99705 1
C71 C 1 0.22133 0.72919 0.90675 1
C72 C 1 0.87442 0.16451 0.46200 1
C73 C 1 0.59802 0.01841 0.22573 1
C74 C 1 0.69186 0.91528 0.24138 1
C75 C 1 0.22770 0.56722 0.77686 1
C76 C 1 0.02292 0.22439 0.63658 1
C77 C 1 0.43825 0.73464 0.23695 1
C78 C 1 0.48773 0.80788 0.23680 1
C79 C 1 0.33882 0.49135 0.23741 1
C80 C 1 0.35518 0.35718 0.19615 1
C81 C 1 0.33918 0.40885 0.12445 1
C82 C 1 0.49582 0.27832 0.38495 1
C83 C 1 0.37073 0.21820 0.36742 1
C84 C 1 0.43272 0.15589 0.37441 1
C85 C 1 0.26077 0.36092 0.49568 1
C86 C 1 0.20347 0.39188 0.36880 1
C87 C 1 0.14097 0.37596 0.42985 1
C88 C 1 0.12856 0.99412 0.23495 1
C89 C 1 0.13136 0.12394 0.29167 1
C90 C 1 0.14074 0.06306 0.35658 1
C91 C 1 0.99858 0.23202 0.12989 1
C92 C 1 0.12576 0.28347 0.15635 1
C93 C 1 0.06503 0.34491 0.17391 1
C94 C 1 0.24639 0.16989 0.01602 1
C95 C 1 0.29038 0.12193 0.14316 1
C96 C 1 0.35844 0.14847 0.09318 1
N1 N 1 0.81234 0.65018 0.45524 1
N2 N 1 0.68339 0.65548 0.51990 1
N3 N 1 0.45144 0.81750 0.66828 1
N4 N 1 0.52085 0.69048 0.67058 1
N5 N 1 0.65197 0.45401 0.81679 1
N6 N 1 0.64216 0.52225 0.68696 1
N7 N 1 0.64532 0.86426 0.04916 1
N8 N 1 0.76395 0.87292 0.96739 1
N9 N 1 0.02742 0.67631 0.86782 1
N10 N 1 0.93836 0.78699 0.89247 1
N11 N 1 0.86819 0.04293 0.68286 1
N12 N 1 0.86314 0.96003 0.80376 1
N13 N 1 0.53696 0.80505 0.16151 1
N14 N 1 0.45494 0.68623 0.16312 1
N15 N 1 0.14198 0.58212 0.79167 1
N16 N 1 0.15299 0.49744 0.67257 1
N17 N 1 0.85137 0.12500 0.53984 1
N18 N 1 0.73237 0.14372 0.46031 1
N19 N 1 0.96293 0.66225 0.38787 1
N20 N 1 0.04926 0.77556 0.36565 1
N21 N 1 0.37280 0.96463 0.67974 1
N22 N 1 0.34956 0.05445 0.79311 1
N23 N 1 0.70212 0.35075 0.94125 1
N24 N 1 0.81516 0.34011 0.03088 1
N25 N 1 0.97759 0.97927 0.99091 1
N26 N 1 0.50000 0.54213 0.49925 1
N27 N 1 0.55774 0.01049 0.47582 1
N28 N 1 0.98475 0.45351 0.01482 1
N29 N 1 0.98912 0.44893 0.56282 1
N30 N 1 0.44642 0.02045 0.97023 1
N31 N 1 0.48578 0.54213 0.02328 1
N32 N 1 0.57745 0.44801 0.96338 1
N33 N 1 0.05994 0.94550 0.50696 1
N34 N 1 0.98956 0.04949 0.57915 1
N35 N 1 0.91594 0.52680 0.46453 1
N36 N 1 0.50654 0.93723 0.07351 1
N37 N 1 0.46496 0.92693 0.54894 1
N38 N 1 0.06858 0.53372 0.92827 1
N39 N 1 0.07960 0.06007 0.05455 1
N40 N 1 0.42900 0.45609 0.40563 1
N41 N 1 0.32555 0.85010 0.57243 1
N42 N 1 0.22255 0.82977 0.47230 1
N43 N 1 0.85281 0.56650 0.31855 1
N44 N 1 0.85746 0.49053 0.19302 1
N45 N 1 0.57007 0.32082 0.85733 1
N46 N 1 0.47596 0.21239 0.85596 1
N47 N 1 0.17531 0.65713 0.93154 1
N48 N 1 0.29204 0.66225 0.01585 1
N49 N 1 0.62087 0.93956 0.19370 1
N50 N 1 0.64939 0.04607 0.28924 1
N51 N 1 0.94903 0.18364 0.65927 1
N52 N 1 0.03553 0.29706 0.68100 1
N53 N 1 0.35542 0.41056 0.26869 1
N54 N 1 0.32964 0.49341 0.15067 1
N55 N 1 0.41149 0.29689 0.37443 1
N56 N 1 0.51129 0.19395 0.38570 1
N57 N 1 0.28068 0.38258 0.41123 1
N58 N 1 0.17723 0.35718 0.50992 1
N59 N 1 0.12339 0.07940 0.21348 1
N60 N 1 0.13832 0.98146 0.32072 1
N61 N 1 0.08281 0.21069 0.12792 1
N62 N 1 0.98523 0.31252 0.15678 1
N63 N 1 0.21831 0.13517 0.09306 1
N64 N 1 0.33071 0.17757 0.01264 1
#End of data

data_irl
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
irl/H-H 2.31/Li-N 2.05-2.14
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: irl.cif. 
;
_cell_length_a                      9.4703
_cell_length_b                      9.8187
_cell_length_c                      10.3574
_cell_angle_alpha                   91.54
_cell_angle_beta                    90.51
_cell_angle_gamma                   80.71
_cell_volume                        950.108
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.02435 0.48542 0.35813 1
H2 H 1 0.98197 0.67900 0.72803 1
H3 H 1 0.84318 0.45036 0.72684 1
H4 H 1 0.50549 0.92244 0.89047 1
H5 H 1 0.21482 0.07695 0.18999 1
H6 H 1 0.43214 0.23782 0.17782 1
H7 H 1 0.88842 0.99179 0.46332 1
H8 H 1 0.17937 0.27672 0.50652 1
H9 H 1 0.32882 0.00779 0.51061 1
H10 H 1 0.06582 0.09551 0.95344 1
H11 H 1 0.75571 0.84463 0.03144 1
H12 H 1 0.02729 0.69042 0.06477 1
H13 H 1 0.31021 0.86964 0.28002 1
H14 H 1 0.28253 0.53319 0.02059 1
H15 H 1 0.27971 0.44598 0.27449 1
H16 H 1 0.87806 0.12528 0.23779 1
H17 H 1 0.60164 0.48153 0.11906 1
H18 H 1 0.68358 0.52313 0.37352 1
H19 H 1 0.13785 0.86831 0.75349 1
H20 H 1 0.50802 0.63521 0.91976 1
H21 H 1 0.50927 0.58783 0.65336 1
H22 H 1 0.90263 0.16225 0.72828 1
H23 H 1 0.45618 0.29208 0.74437 1
H24 H 1 0.55264 0.34523 0.49935 1
Li1 Li 1 0.18918 0.73306 0.49360 1
Li2 Li 1 0.69854 0.16156 0.97349 1
B1 B 1 0.26006 0.83634 0.00808 1
B2 B 1 0.86860 0.29134 0.48197 1
C1 C 1 0.99684 0.50768 0.45947 1
C2 C 1 0.97181 0.60463 0.64965 1
C3 C 1 0.90257 0.49073 0.65105 1
C4 C 1 0.45792 0.98706 0.97125 1
C5 C 1 0.30740 0.06811 0.12675 1
C6 C 1 0.41542 0.14766 0.11931 1
C7 C 1 0.98971 0.03069 0.47347 1
C8 C 1 0.14188 0.17782 0.49550 1
C9 C 1 0.21445 0.04335 0.49727 1
C10 C 1 0.01577 0.00680 0.97731 1
C11 C 1 0.86061 0.87453 0.01811 1
C12 C 1 0.99475 0.79645 0.03485 1
C13 C 1 0.30288 0.76512 0.24563 1
C14 C 1 0.28774 0.58986 0.11197 1
C15 C 1 0.28589 0.54850 0.23898 1
C16 C 1 0.81338 0.22784 0.23852 1
C17 C 1 0.67277 0.41226 0.18059 1
C18 C 1 0.71093 0.43424 0.30807 1
C19 C 1 0.23863 0.79715 0.76063 1
C20 C 1 0.43144 0.67594 0.84572 1
C21 C 1 0.43064 0.65442 0.71272 1
C22 C 1 0.79312 0.20517 0.70138 1
C23 C 1 0.56458 0.27339 0.70570 1
C24 C 1 0.61059 0.30038 0.58346 1
N1 N 1 0.03162 0.61465 0.52911 1
N2 N 1 0.91899 0.42824 0.52871 1
N3 N 1 0.33535 0.96435 0.03155 1
N4 N 1 0.50944 0.09629 0.02128 1
N5 N 1 0.99733 0.16965 0.48039 1
N6 N 1 0.11828 0.95101 0.48315 1
N7 N 1 0.87431 0.00673 0.98216 1
N8 N 1 0.09437 0.88181 0.00909 1
N9 N 1 0.29928 0.72974 0.11680 1
N10 N 1 0.29454 0.65952 0.32280 1
N11 N 1 0.73747 0.28255 0.13712 1
N12 N 1 0.80156 0.31533 0.34517 1
N13 N 1 0.30693 0.76705 0.87607 1
N14 N 1 0.30897 0.73079 0.65995 1
N15 N 1 0.68009 0.21432 0.77976 1
N16 N 1 0.75767 0.25594 0.58079 1
#End of data

data_lcs
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
lcs/H-H 2.67/Li-N 2.04-2.05
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: lcs.cif. 
;
_cell_length_a                      16.1236
_cell_length_b                      16.1236
_cell_length_c                      16.1236
_cell_angle_alpha                   109.47
_cell_angle_beta                    109.47
_cell_angle_gamma                   109.47
_cell_volume                        3226.887
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.71755 0.45131 0.12729 1
H2 H 1 0.83530 0.38446 0.06133 1
H3 H 1 0.76102 0.25482 0.23418 1
H4 H 1 0.83369 0.59385 0.38099 1
H5 H 1 0.82832 0.77524 0.44537 1
H6 H 1 0.52804 0.52377 0.26689 1
H7 H 1 0.67071 0.05339 0.76604 1
H8 H 1 0.67651 0.12382 0.95287 1
H9 H 1 0.97681 0.23886 0.00134 1
H10 H 1 0.78691 0.90644 0.73503 1
H11 H 1 0.67392 0.72351 0.55014 1
H12 H 1 0.73598 0.97148 0.49574 1
H13 H 1 0.45129 0.12729 0.71755 1
H14 H 1 0.38443 0.06134 0.83530 1
H15 H 1 0.25481 0.23420 0.76102 1
H16 H 1 0.90644 0.73505 0.78690 1
H17 H 1 0.72351 0.55016 0.67392 1
H18 H 1 0.97147 0.49575 0.73598 1
H19 H 1 0.38099 0.83368 0.59383 1
H20 H 1 0.44537 0.82831 0.77523 1
H21 H 1 0.26690 0.52804 0.52375 1
H22 H 1 0.59384 0.38100 0.83369 1
H23 H 1 0.77524 0.44539 0.82832 1
H24 H 1 0.52376 0.26691 0.52804 1
H25 H 1 0.76605 0.67073 0.05337 1
H26 H 1 0.95288 0.67651 0.12380 1
H27 H 1 0.00136 0.97682 0.23886 1
H28 H 1 0.05337 0.76606 0.67072 1
H29 H 1 0.12379 0.95289 0.67651 1
H30 H 1 0.23886 0.00136 0.97681 1
H31 H 1 0.73504 0.78690 0.90642 1
H32 H 1 0.55014 0.67392 0.72350 1
H33 H 1 0.49575 0.73599 0.97147 1
H34 H 1 0.17017 0.05339 0.22534 1
H35 H 1 0.28547 0.23886 0.40794 1
H36 H 1 0.24224 0.00097 0.47447 1
H37 H 1 0.45134 0.61102 0.17311 1
H38 H 1 0.26556 0.54338 0.16964 1
H39 H 1 0.50262 0.74120 0.47410 1
H40 H 1 0.17312 0.45134 0.61101 1
H41 H 1 0.16965 0.26556 0.54338 1
H42 H 1 0.47411 0.50261 0.74120 1
H43 H 1 0.94977 0.27397 0.32695 1
H44 H 1 0.88035 0.09055 0.32830 1
H45 H 1 0.76608 0.02642 0.02440 1
H46 H 1 0.32697 0.94976 0.27396 1
H47 H 1 0.32832 0.88034 0.09055 1
H48 H 1 0.02442 0.76609 0.02641 1
H49 H 1 0.05338 0.22534 0.17013 1
H50 H 1 0.23886 0.40793 0.28545 1
H51 H 1 0.00097 0.47448 0.24225 1
H52 H 1 0.32014 0.54554 0.86753 1
H53 H 1 0.20426 0.61077 0.93847 1
H54 H 1 0.26514 0.74169 0.76351 1
H55 H 1 0.54553 0.86753 0.32013 1
H56 H 1 0.61076 0.93848 0.20425 1
H57 H 1 0.74169 0.76353 0.26514 1
H58 H 1 0.22534 0.17018 0.05340 1
H59 H 1 0.40794 0.28548 0.23887 1
H60 H 1 0.47447 0.24225 0.00097 1
H61 H 1 0.61100 0.17313 0.45134 1
H62 H 1 0.54337 0.16966 0.26556 1
H63 H 1 0.74121 0.47412 0.50261 1
H64 H 1 0.27396 0.32698 0.94977 1
H65 H 1 0.09055 0.32833 0.88034 1
H66 H 1 0.02641 0.02443 0.76609 1
H67 H 1 0.86752 0.32015 0.54553 1
H68 H 1 0.93846 0.20426 0.61074 1
H69 H 1 0.76352 0.26515 0.74168 1
H70 H 1 0.12729 0.71754 0.45129 1
H71 H 1 0.06133 0.83529 0.38443 1
H72 H 1 0.23420 0.76102 0.25482 1
Li1 Li 1 0.74930 0.87360 0.12385 1
Li2 Li 1 0.25204 0.62648 0.37388 1
Li3 Li 1 0.62649 0.37390 0.25203 1
Li4 Li 1 0.87358 0.12386 0.74928 1
Li5 Li 1 0.12386 0.74930 0.87359 1
Li6 Li 1 0.37389 0.25204 0.62649 1
B1 B 1 0.87788 0.25043 0.12685 1
B2 B 1 0.12686 0.87789 0.25041 1
B3 B 1 0.37401 0.62634 0.74733 1
B4 B 1 0.62634 0.74734 0.37400 1
B5 B 1 0.25041 0.12687 0.87789 1
B6 B 1 0.74733 0.37402 0.62633 1
C1 C 1 0.74408 0.40030 0.14014 1
C2 C 1 0.80341 0.36888 0.10788 1
C3 C 1 0.76489 0.30038 0.19701 1
C4 C 1 0.76866 0.60575 0.36631 1
C5 C 1 0.76734 0.69628 0.39780 1
C6 C 1 0.61081 0.56640 0.30571 1
C7 C 1 0.73590 0.10258 0.84294 1
C8 C 1 0.73741 0.13596 0.93484 1
C9 C 1 0.89394 0.19679 0.96130 1
C10 C 1 0.75963 0.89330 0.65763 1
C11 C 1 0.70272 0.80198 0.56674 1
C12 C 1 0.73491 0.93011 0.53726 1
C13 C 1 0.40028 0.14015 0.74408 1
C14 C 1 0.36885 0.10788 0.80341 1
C15 C 1 0.30037 0.19702 0.76489 1
C16 C 1 0.89329 0.65765 0.75963 1
C17 C 1 0.80197 0.56676 0.70272 1
C18 C 1 0.93010 0.53728 0.73491 1
C19 C 1 0.36631 0.76865 0.60574 1
C20 C 1 0.39780 0.76733 0.69627 1
C21 C 1 0.30572 0.61081 0.56639 1
C22 C 1 0.60575 0.36632 0.76866 1
C23 C 1 0.69627 0.39781 0.76734 1
C24 C 1 0.56639 0.30573 0.61081 1
C25 C 1 0.84296 0.73592 0.10257 1
C26 C 1 0.93485 0.73742 0.13595 1
C27 C 1 0.96132 0.89395 0.19678 1
C28 C 1 0.10256 0.84297 0.73591 1
C29 C 1 0.13594 0.93486 0.73742 1
C30 C 1 0.19678 0.96132 0.89395 1
C31 C 1 0.65764 0.75963 0.89328 1
C32 C 1 0.56675 0.70272 0.80196 1
C33 C 1 0.53728 0.73491 0.93010 1
C34 C 1 0.20129 0.07044 0.30401 1
C35 C 1 0.25946 0.16165 0.39514 1
C36 C 1 0.23859 0.04194 0.43268 1
C37 C 1 0.43408 0.62671 0.23460 1
C38 C 1 0.34268 0.59483 0.23417 1
C39 C 1 0.46194 0.69552 0.39142 1
C40 C 1 0.23461 0.43408 0.62670 1
C41 C 1 0.23417 0.34268 0.59482 1
C42 C 1 0.39143 0.46194 0.69551 1
C43 C 1 0.90062 0.19554 0.26497 1
C44 C 1 0.86654 0.10404 0.26427 1
C45 C 1 0.80574 0.06764 0.10725 1
C46 C 1 0.26499 0.90062 0.19553 1
C47 C 1 0.26429 0.86654 0.10403 1
C48 C 1 0.10727 0.80575 0.06763 1
C49 C 1 0.07044 0.30401 0.20127 1
C50 C 1 0.16164 0.39513 0.25944 1
C51 C 1 0.04194 0.43268 0.23858 1
C52 C 1 0.29277 0.59694 0.85813 1
C53 C 1 0.23449 0.62910 0.89170 1
C54 C 1 0.26431 0.69822 0.80291 1
C55 C 1 0.59693 0.85813 0.29275 1
C56 C 1 0.62909 0.89171 0.23448 1
C57 C 1 0.69822 0.80292 0.26430 1
C58 C 1 0.30401 0.20130 0.07045 1
C59 C 1 0.39514 0.25947 0.16165 1
C60 C 1 0.43267 0.23860 0.04194 1
C61 C 1 0.62669 0.23462 0.43408 1
C62 C 1 0.59481 0.23419 0.34268 1
C63 C 1 0.69551 0.39144 0.46194 1
C64 C 1 0.19552 0.26500 0.90063 1
C65 C 1 0.10403 0.26430 0.86654 1
C66 C 1 0.06763 0.10728 0.80575 1
C67 C 1 0.85812 0.29277 0.59692 1
C68 C 1 0.89169 0.23450 0.62908 1
C69 C 1 0.80291 0.26432 0.69821 1
C70 C 1 0.14014 0.74408 0.40028 1
C71 C 1 0.10788 0.80340 0.36885 1
C72 C 1 0.19702 0.76490 0.30038 1
N1 N 1 0.71986 0.35670 0.19582 1
N2 N 1 0.81703 0.30503 0.14494 1
N3 N 1 0.67005 0.52446 0.30877 1
N4 N 1 0.66571 0.67067 0.35833 1
N5 N 1 0.83449 0.14132 0.86008 1
N6 N 1 0.83914 0.19626 0.01081 1
N7 N 1 0.77994 0.97355 0.63861 1
N8 N 1 0.68669 0.82591 0.48951 1
N9 N 1 0.35669 0.19583 0.71986 1
N10 N 1 0.30501 0.14496 0.81703 1
N11 N 1 0.97354 0.63863 0.77994 1
N12 N 1 0.82591 0.48953 0.68669 1
N13 N 1 0.30878 0.67005 0.52444 1
N14 N 1 0.35833 0.66571 0.67066 1
N15 N 1 0.52445 0.30879 0.67005 1
N16 N 1 0.67066 0.35835 0.66571 1
N17 N 1 0.86010 0.83450 0.14131 1
N18 N 1 0.01083 0.83915 0.19625 1
N19 N 1 0.14131 0.86010 0.83450 1
N20 N 1 0.19625 0.01084 0.83915 1
N21 N 1 0.63863 0.77994 0.97353 1
N22 N 1 0.48952 0.68669 0.82590 1
N23 N 1 0.18765 0.99360 0.32840 1
N24 N 1 0.28292 0.14319 0.47569 1
N25 N 1 0.51061 0.69111 0.33587 1
N26 N 1 0.36072 0.63862 0.33293 1
N27 N 1 0.33588 0.51061 0.69111 1
N28 N 1 0.33293 0.36072 0.63862 1
N29 N 1 0.86111 0.17184 0.16387 1
N30 N 1 0.80726 0.02399 0.16494 1
N31 N 1 0.16389 0.86111 0.17183 1
N32 N 1 0.16496 0.80727 0.02398 1
N33 N 1 0.99360 0.32841 0.18763 1
N34 N 1 0.14319 0.47569 0.28292 1
N35 N 1 0.31203 0.64173 0.80130 1
N36 N 1 0.21666 0.69250 0.85651 1
N37 N 1 0.64172 0.80130 0.31201 1
N38 N 1 0.69250 0.85652 0.21666 1
N39 N 1 0.32840 0.18766 0.99360 1
N40 N 1 0.47569 0.28293 0.14319 1
N41 N 1 0.69110 0.33589 0.51060 1
N42 N 1 0.63861 0.33294 0.36072 1
N43 N 1 0.17183 0.16390 0.86111 1
N44 N 1 0.02398 0.16497 0.80726 1
N45 N 1 0.80129 0.31203 0.64172 1
N46 N 1 0.85651 0.21667 0.69249 1
N47 N 1 0.19583 0.71986 0.35669 1
N48 N 1 0.14495 0.81703 0.30501 1
#End of data

data_lon
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
lon/H-H 2.27/Li-N 2.06-2.14
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: lon.cif. 
;
_cell_length_a                      9.6435
_cell_length_b                      9.8957
_cell_length_c                      14.4361
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   124.35
_cell_volume                        1137.376
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.62124 0.77303 0.57012 1
H2 H 1 0.80407 0.63595 0.59289 1
H3 H 1 0.44180 0.37558 0.38384 1
H4 H 1 0.19830 0.26138 0.46482 1
H5 H 1 0.85725 0.09618 0.50289 1
H6 H 1 0.05063 0.59191 0.45022 1
H7 H 1 0.80169 0.73851 0.96482 1
H8 H 1 0.14274 0.90373 0.00288 1
H9 H 1 0.94936 0.40798 0.95021 1
H10 H 1 0.73085 0.34042 0.10956 1
H11 H 1 0.59338 0.01428 0.15529 1
H12 H 1 0.45924 0.03632 0.87999 1
H13 H 1 0.37875 0.22686 0.07011 1
H14 H 1 0.19592 0.36395 0.09289 1
H15 H 1 0.55820 0.62433 0.88384 1
H16 H 1 0.26914 0.65948 0.60956 1
H17 H 1 0.40660 0.98563 0.65529 1
H18 H 1 0.54075 0.96358 0.37999 1
H19 H 1 0.61498 0.77048 0.12917 1
H20 H 1 0.65584 0.72724 0.31552 1
H21 H 1 0.15922 0.59518 0.26948 1
H22 H 1 0.38500 0.22942 0.62917 1
H23 H 1 0.34415 0.27265 0.81552 1
H24 H 1 0.84076 0.40472 0.76948 1
Li1 Li 1 0.32256 0.71185 0.02896 1
Li2 Li 1 0.67740 0.28808 0.52896 1
B1 B 1 0.36228 0.61468 0.42827 1
B2 B 1 0.63771 0.38521 0.92826 1
C1 C 1 0.61182 0.67095 0.53475 1
C2 C 1 0.70182 0.60160 0.54488 1
C3 C 1 0.51507 0.46246 0.43920 1
C4 C 1 0.11735 0.30542 0.46614 1
C5 C 1 0.94768 0.22483 0.48554 1
C6 C 1 0.04177 0.47769 0.45854 1
C7 C 1 0.88263 0.69449 0.96614 1
C8 C 1 0.05231 0.77507 0.98554 1
C9 C 1 0.95822 0.52222 0.95854 1
C10 C 1 0.65489 0.22882 0.06899 1
C11 C 1 0.58558 0.06634 0.09055 1
C12 C 1 0.51416 0.07185 0.94916 1
C13 C 1 0.38818 0.32895 0.03475 1
C14 C 1 0.29816 0.39830 0.04488 1
C15 C 1 0.48492 0.53745 0.93920 1
C16 C 1 0.34510 0.77108 0.56898 1
C17 C 1 0.41441 0.93356 0.59055 1
C18 C 1 0.48583 0.92805 0.44916 1
C19 C 1 0.52528 0.72907 0.18610 1
C20 C 1 0.54755 0.70728 0.27830 1
C21 C 1 0.28920 0.63849 0.25506 1
C22 C 1 0.47471 0.27083 0.68610 1
C23 C 1 0.45244 0.29261 0.77829 1
C24 C 1 0.71078 0.36140 0.75506 1
N1 N 1 0.49098 0.58085 0.46698 1
N2 N 1 0.63987 0.46964 0.48514 1
N3 N 1 0.17818 0.46833 0.44908 1
N4 N 1 0.90081 0.33385 0.48096 1
N5 N 1 0.82180 0.53157 0.94908 1
N6 N 1 0.09918 0.66605 0.98095 1
N7 N 1 0.60948 0.23217 0.97790 1
N8 N 1 0.49707 0.96767 0.01500 1
N9 N 1 0.50900 0.41905 0.96697 1
N10 N 1 0.36013 0.53027 0.98514 1
N11 N 1 0.39051 0.76773 0.47790 1
N12 N 1 0.50292 0.03223 0.51499 1
N13 N 1 0.36285 0.68646 0.17180 1
N14 N 1 0.39501 0.64744 0.32247 1
N15 N 1 0.63714 0.31344 0.67180 1
N16 N 1 0.60499 0.35245 0.82246 1
#End of data

data_lta
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
LTA/H-H 2.35/Li-N 2.05-2.07/F432
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: lta.cif. 
;
_cell_length_a                      30.6723
_cell_length_b                      30.6723
_cell_length_c                      30.6723
_cell_angle_alpha                   60
_cell_angle_beta                    60
_cell_angle_gamma                   60
_cell_volume                        20404.41
_cell_formula_units_Z               24
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.98905 0.87449 0.38681 1
H2 H 1 0.09525 0.81676 0.37625 1
H3 H 1 0.13741 0.78397 0.46855 1
H4 H 1 0.93571 0.81739 0.56189 1
H5 H 1 0.07171 0.18595 0.39860 1
H6 H 1 0.84560 0.20533 0.54255 1
H7 H 1 0.90601 0.19795 0.62003 1
H8 H 1 0.03382 0.10149 0.61677 1
H9 H 1 0.92989 0.15600 0.45234 1
H10 H 1 0.94542 0.05002 0.60368 1
H11 H 1 0.00062 0.27402 0.46955 1
H12 H 1 0.06825 0.05587 0.49107 1
H13 H 1 0.05489 0.06756 0.38459 1
H14 H 1 0.38544 0.49251 0.05450 1
H15 H 1 0.49141 0.38415 0.06867 1
H16 H 1 0.49107 0.06825 0.05587 1
H17 H 1 0.05586 0.49108 0.06825 1
H18 H 1 0.06867 0.49141 0.38415 1
H19 H 1 0.06756 0.38459 0.05489 1
H20 H 1 0.38459 0.05489 0.06756 1
H21 H 1 0.49251 0.05450 0.38544 1
H22 H 1 0.05450 0.38544 0.49251 1
H23 H 1 0.38415 0.06867 0.49141 1
H24 H 1 0.94414 0.93175 0.50893 1
H25 H 1 0.93244 0.94511 0.61541 1
H26 H 1 0.50749 0.61456 0.94550 1
H27 H 1 0.61585 0.50859 0.93134 1
H28 H 1 0.93175 0.50893 0.94414 1
H29 H 1 0.50893 0.94413 0.93175 1
H30 H 1 0.50859 0.93133 0.61585 1
H31 H 1 0.61541 0.93244 0.94511 1
H32 H 1 0.94511 0.61541 0.93244 1
H33 H 1 0.94550 0.50749 0.61456 1
H34 H 1 0.61456 0.94550 0.50749 1
H35 H 1 0.93133 0.61585 0.50859 1
H36 H 1 0.27291 0.00111 0.25422 1
H37 H 1 0.25469 0.47096 0.27324 1
H38 H 1 0.47035 0.25477 0.00162 1
H39 H 1 0.46955 0.00062 0.27402 1
H40 H 1 0.27402 0.46955 0.00062 1
H41 H 1 0.00162 0.47035 0.25477 1
H42 H 1 0.00111 0.25422 0.27291 1
H43 H 1 0.25422 0.27291 0.00111 1
H44 H 1 0.47096 0.27324 0.25469 1
H45 H 1 0.27324 0.25469 0.47096 1
H46 H 1 0.25477 0.00162 0.47035 1
H47 H 1 0.72598 0.99938 0.53045 1
H48 H 1 0.99889 0.72709 0.74578 1
H49 H 1 0.52904 0.74531 0.72676 1
H50 H 1 0.74523 0.52965 0.99839 1
H51 H 1 0.99938 0.53045 0.72598 1
H52 H 1 0.53045 0.72598 0.99938 1
H53 H 1 0.52965 0.99839 0.74523 1
H54 H 1 0.74578 0.99889 0.72709 1
H55 H 1 0.72709 0.74578 0.99889 1
H56 H 1 0.72676 0.52904 0.74531 1
H57 H 1 0.74531 0.72676 0.52904 1
H58 H 1 0.99839 0.74523 0.52965 1
H59 H 1 0.04935 0.94495 0.40067 1
H60 H 1 0.40051 0.60574 0.04920 1
H61 H 1 0.60494 0.40013 0.94486 1
H62 H 1 0.60368 0.94542 0.05002 1
H63 H 1 0.05002 0.60369 0.94542 1
H64 H 1 0.94486 0.60494 0.40013 1
H65 H 1 0.94495 0.40068 0.04935 1
H66 H 1 0.40068 0.04935 0.94495 1
H67 H 1 0.60574 0.04919 0.40051 1
H68 H 1 0.04920 0.40051 0.60574 1
H69 H 1 0.40013 0.94486 0.60494 1
H70 H 1 0.94998 0.05458 0.39632 1
H71 H 1 0.05505 0.95065 0.59932 1
H72 H 1 0.39426 0.59949 0.95080 1
H73 H 1 0.59987 0.39506 0.05514 1
H74 H 1 0.05458 0.39632 0.94998 1
H75 H 1 0.39632 0.94998 0.05458 1
H76 H 1 0.39506 0.05514 0.59987 1
H77 H 1 0.59932 0.05505 0.95065 1
H78 H 1 0.95065 0.59933 0.05505 1
H79 H 1 0.95080 0.39426 0.59949 1
H80 H 1 0.59949 0.95080 0.39426 1
H81 H 1 0.05514 0.59987 0.39506 1
H82 H 1 0.15534 0.93027 0.46134 1
H83 H 1 0.46167 0.45321 0.15492 1
H84 H 1 0.45315 0.46083 0.93085 1
H85 H 1 0.45234 0.92989 0.15600 1
H86 H 1 0.15600 0.45235 0.92989 1
H87 H 1 0.93085 0.45315 0.46083 1
H88 H 1 0.93027 0.46134 0.15534 1
H89 H 1 0.46134 0.15534 0.93027 1
H90 H 1 0.45321 0.15491 0.46167 1
H91 H 1 0.15491 0.46167 0.45321 1
H92 H 1 0.46083 0.93084 0.45314 1
H93 H 1 0.84400 0.07011 0.54766 1
H94 H 1 0.06973 0.84466 0.53866 1
H95 H 1 0.54679 0.53833 0.84509 1
H96 H 1 0.53917 0.54685 0.06916 1
H97 H 1 0.07011 0.54766 0.84399 1
H98 H 1 0.54766 0.84399 0.07011 1
H99 H 1 0.54685 0.06915 0.53917 1
H100 H 1 0.53866 0.06973 0.84466 1
H101 H 1 0.84466 0.53866 0.06974 1
H102 H 1 0.84508 0.54679 0.53833 1
H103 H 1 0.53833 0.84509 0.54679 1
H104 H 1 0.06916 0.53917 0.54685 1
H105 H 1 0.10103 0.03408 0.24697 1
H106 H 1 0.24586 0.61512 0.10271 1
H107 H 1 0.61908 0.24874 0.03294 1
H108 H 1 0.61677 0.03382 0.10149 1
H109 H 1 0.10150 0.61677 0.03382 1
H110 H 1 0.03294 0.61908 0.24875 1
H111 H 1 0.03408 0.24697 0.10103 1
H112 H 1 0.24697 0.10103 0.03408 1
H113 H 1 0.61512 0.10271 0.24585 1
H114 H 1 0.10271 0.24585 0.61512 1
H115 H 1 0.24874 0.03294 0.61908 1
H116 H 1 0.89851 0.96618 0.38323 1
H117 H 1 0.96592 0.89897 0.75304 1
H118 H 1 0.38488 0.75415 0.89729 1
H119 H 1 0.75125 0.38092 0.96706 1
H120 H 1 0.96618 0.38323 0.89851 1
H121 H 1 0.38323 0.89850 0.96618 1
H122 H 1 0.38092 0.96706 0.75126 1
H123 H 1 0.75303 0.96592 0.89897 1
H124 H 1 0.89897 0.75304 0.96592 1
H125 H 1 0.89729 0.38488 0.75415 1
H126 H 1 0.75414 0.89729 0.38488 1
H127 H 1 0.96706 0.75125 0.38092 1
H128 H 1 0.19776 0.90524 0.27515 1
H129 H 1 0.27578 0.62091 0.19836 1
H130 H 1 0.62092 0.27476 0.90691 1
H131 H 1 0.62003 0.90601 0.19795 1
H132 H 1 0.19795 0.62003 0.90601 1
H133 H 1 0.90691 0.62093 0.27475 1
H134 H 1 0.90524 0.27516 0.19776 1
H135 H 1 0.27515 0.19776 0.90524 1
H136 H 1 0.62091 0.19835 0.27578 1
H137 H 1 0.19835 0.27577 0.62092 1
H138 H 1 0.27476 0.90691 0.62092 1
H139 H 1 0.80205 0.09399 0.37997 1
H140 H 1 0.09476 0.80224 0.72484 1
H141 H 1 0.37909 0.72423 0.80165 1
H142 H 1 0.72525 0.37907 0.09309 1
H143 H 1 0.09399 0.37997 0.80205 1
H144 H 1 0.37997 0.80205 0.09399 1
H145 H 1 0.37907 0.09309 0.72525 1
H146 H 1 0.72484 0.09476 0.80224 1
H147 H 1 0.80224 0.72485 0.09476 1
H148 H 1 0.80165 0.37909 0.72423 1
H149 H 1 0.72422 0.80164 0.37909 1
H150 H 1 0.09309 0.72524 0.37907 1
H151 H 1 0.20470 0.84563 0.40655 1
H152 H 1 0.40773 0.54190 0.20428 1
H153 H 1 0.54112 0.40787 0.84610 1
H154 H 1 0.54255 0.84560 0.20533 1
H155 H 1 0.20533 0.54255 0.84560 1
H156 H 1 0.84609 0.54111 0.40787 1
H157 H 1 0.84563 0.40656 0.20470 1
H158 H 1 0.40655 0.20470 0.84563 1
H159 H 1 0.54190 0.20428 0.40773 1
H160 H 1 0.20428 0.40773 0.54190 1
H161 H 1 0.40787 0.84610 0.54112 1
H162 H 1 0.79467 0.15440 0.45745 1
H163 H 1 0.15436 0.79531 0.59344 1
H164 H 1 0.45810 0.59227 0.79572 1
H165 H 1 0.59213 0.45888 0.15391 1
H166 H 1 0.15440 0.45745 0.79467 1
H167 H 1 0.45745 0.79467 0.15440 1
H168 H 1 0.45889 0.15391 0.59212 1
H169 H 1 0.59344 0.15437 0.79530 1
H170 H 1 0.79530 0.59345 0.15437 1
H171 H 1 0.79572 0.45810 0.59227 1
H172 H 1 0.59227 0.79572 0.45810 1
H173 H 1 0.15391 0.59212 0.45889 1
H174 H 1 0.18673 0.07105 0.34211 1
H175 H 1 0.34262 0.39939 0.18747 1
H176 H 1 0.39921 0.34176 0.07106 1
H177 H 1 0.39859 0.07171 0.18595 1
H178 H 1 0.18595 0.39860 0.07171 1
H179 H 1 0.07106 0.39921 0.34176 1
H180 H 1 0.07105 0.34212 0.18673 1
H181 H 1 0.34212 0.18673 0.07105 1
H182 H 1 0.39939 0.18747 0.34262 1
H183 H 1 0.18747 0.34262 0.39939 1
H184 H 1 0.34176 0.07106 0.39921 1
H185 H 1 0.81405 0.92829 0.60140 1
H186 H 1 0.92895 0.81327 0.65788 1
H187 H 1 0.60061 0.65738 0.81253 1
H188 H 1 0.65824 0.60079 0.92895 1
H189 H 1 0.92829 0.60141 0.81405 1
H190 H 1 0.60141 0.81405 0.92829 1
H191 H 1 0.60079 0.92895 0.65824 1
H192 H 1 0.65788 0.92895 0.81327 1
H193 H 1 0.81327 0.65789 0.92895 1
H194 H 1 0.81253 0.60061 0.65738 1
H195 H 1 0.65738 0.81252 0.60061 1
H196 H 1 0.92895 0.65824 0.60079 1
H197 H 1 0.81870 0.93563 0.68591 1
H198 H 1 0.68546 0.56112 0.81688 1
H199 H 1 0.56201 0.68563 0.93605 1
H200 H 1 0.56189 0.93571 0.81739 1
H201 H 1 0.81739 0.56189 0.93571 1
H202 H 1 0.93605 0.56201 0.68563 1
H203 H 1 0.93563 0.68592 0.81870 1
H204 H 1 0.68591 0.81870 0.93563 1
H205 H 1 0.56112 0.81688 0.68546 1
H206 H 1 0.81688 0.68546 0.56112 1
H207 H 1 0.68563 0.93605 0.56201 1
H208 H 1 0.18261 0.06429 0.43811 1
H209 H 1 0.06437 0.18130 0.31409 1
H210 H 1 0.43889 0.31454 0.18312 1
H211 H 1 0.31437 0.43799 0.06395 1
H212 H 1 0.06429 0.43811 0.18261 1
H213 H 1 0.43811 0.18261 0.06429 1
H214 H 1 0.43799 0.06395 0.31437 1
H215 H 1 0.31408 0.06437 0.18130 1
H216 H 1 0.18130 0.31409 0.06437 1
H217 H 1 0.18312 0.43888 0.31454 1
H218 H 1 0.31454 0.18312 0.43888 1
H219 H 1 0.06395 0.31437 0.43799 1
H220 H 1 0.78386 0.13822 0.61088 1
H221 H 1 0.60891 0.46894 0.78415 1
H222 H 1 0.46958 0.60896 0.13735 1
H223 H 1 0.46855 0.13741 0.78397 1
H224 H 1 0.78397 0.46855 0.13741 1
H225 H 1 0.13735 0.46959 0.60896 1
H226 H 1 0.13822 0.61088 0.78386 1
H227 H 1 0.61088 0.78386 0.13822 1
H228 H 1 0.46894 0.78415 0.60891 1
H229 H 1 0.78415 0.60891 0.46894 1
H230 H 1 0.60895 0.13735 0.46959 1
H231 H 1 0.21603 0.86259 0.53145 1
H232 H 1 0.86178 0.21613 0.38912 1
H233 H 1 0.53106 0.39109 0.21585 1
H234 H 1 0.39105 0.53041 0.86265 1
H235 H 1 0.86259 0.53145 0.21603 1
H236 H 1 0.53145 0.21603 0.86259 1
H237 H 1 0.53041 0.86265 0.39104 1
H238 H 1 0.38912 0.86178 0.21614 1
H239 H 1 0.21614 0.38912 0.86178 1
H240 H 1 0.21585 0.53106 0.39109 1
H241 H 1 0.39109 0.21585 0.53106 1
H242 H 1 0.86265 0.39105 0.53041 1
H243 H 1 0.81663 0.09662 0.71164 1
H244 H 1 0.71107 0.37605 0.81608 1
H245 H 1 0.37662 0.71183 0.09537 1
H246 H 1 0.37625 0.09524 0.81676 1
H247 H 1 0.81676 0.37625 0.09525 1
H248 H 1 0.09537 0.37662 0.71184 1
H249 H 1 0.09662 0.71164 0.81663 1
H250 H 1 0.71164 0.81663 0.09662 1
H251 H 1 0.37605 0.81607 0.71108 1
H252 H 1 0.81607 0.71107 0.37605 1
H253 H 1 0.71183 0.09537 0.37662 1
H254 H 1 0.18324 0.90475 0.62375 1
H255 H 1 0.90338 0.18337 0.28836 1
H256 H 1 0.62395 0.28893 0.18393 1
H257 H 1 0.28817 0.62338 0.90464 1
H258 H 1 0.90475 0.62375 0.18324 1
H259 H 1 0.62375 0.18324 0.90475 1
H260 H 1 0.62338 0.90463 0.28816 1
H261 H 1 0.28836 0.90338 0.18337 1
H262 H 1 0.18337 0.28836 0.90338 1
H263 H 1 0.18393 0.62395 0.28893 1
H264 H 1 0.28893 0.18393 0.62395 1
H265 H 1 0.90463 0.28817 0.62338 1
H266 H 1 0.87439 0.98968 0.75029 1
H267 H 1 0.74878 0.38499 0.87517 1
H268 H 1 0.38890 0.75157 0.98765 1
H269 H 1 0.38681 0.98905 0.87449 1
H270 H 1 0.87449 0.38681 0.98905 1
H271 H 1 0.98765 0.38890 0.75157 1
H272 H 1 0.98968 0.75029 0.87439 1
H273 H 1 0.75029 0.87439 0.98968 1
H274 H 1 0.38499 0.87517 0.74879 1
H275 H 1 0.87517 0.74878 0.38499 1
H276 H 1 0.75156 0.98765 0.38890 1
H277 H 1 0.12551 0.01096 0.61319 1
H278 H 1 0.01032 0.12561 0.24971 1
H279 H 1 0.61501 0.25122 0.12483 1
H280 H 1 0.24844 0.61110 0.01235 1
H281 H 1 0.01096 0.61319 0.12551 1
H282 H 1 0.61319 0.12551 0.01095 1
H283 H 1 0.61110 0.01235 0.24843 1
H284 H 1 0.24971 0.01032 0.12561 1
H285 H 1 0.12561 0.24971 0.01032 1
H286 H 1 0.12483 0.61501 0.25122 1
H287 H 1 0.25122 0.12483 0.61501 1
H288 H 1 0.01235 0.24844 0.61110 1
Li1 Li 1 0.97626 0.15735 0.52220 1
Li2 Li 1 0.15690 0.97597 0.34336 1
Li3 Li 1 0.34366 0.52334 0.15691 1
Li4 Li 1 0.52321 0.34343 0.97648 1
Li5 Li 1 0.52220 0.97626 0.15735 1
Li6 Li 1 0.15735 0.52220 0.97626 1
Li7 Li 1 0.97648 0.52321 0.34343 1
Li8 Li 1 0.97597 0.34336 0.15690 1
Li9 Li 1 0.34336 0.15690 0.97597 1
Li10 Li 1 0.52335 0.15691 0.34366 1
Li11 Li 1 0.15691 0.34366 0.52335 1
Li12 Li 1 0.34343 0.97648 0.52321 1
Li13 Li 1 0.84265 0.02374 0.47780 1
Li14 Li 1 0.02403 0.84311 0.65664 1
Li15 Li 1 0.47666 0.65634 0.84309 1
Li16 Li 1 0.65657 0.47679 0.02352 1
Li17 Li 1 0.02374 0.47780 0.84265 1
Li18 Li 1 0.47780 0.84265 0.02374 1
Li19 Li 1 0.47679 0.02352 0.65657 1
Li20 Li 1 0.65664 0.02403 0.84311 1
Li21 Li 1 0.84311 0.65664 0.02403 1
Li22 Li 1 0.84309 0.47666 0.65634 1
Li23 Li 1 0.65634 0.84309 0.47666 1
Li24 Li 1 0.02352 0.65657 0.47679 1
B1 B 1 0.02798 0.84362 0.47196 1
B2 B 1 0.84390 0.02867 0.65676 1
B3 B 1 0.65635 0.47140 0.84355 1
B4 B 1 0.47226 0.65653 0.02810 1
B5 B 1 0.47196 0.02798 0.84362 1
B6 B 1 0.84362 0.47196 0.02798 1
B7 B 1 0.02810 0.47226 0.65653 1
B8 B 1 0.02867 0.65676 0.84390 1
B9 B 1 0.65675 0.84390 0.02867 1
B10 B 1 0.47140 0.84355 0.65635 1
B11 B 1 0.84355 0.65635 0.47140 1
B12 B 1 0.65653 0.02810 0.47226 1
B13 B 1 0.15638 0.97202 0.52804 1
B14 B 1 0.97133 0.15610 0.34324 1
B15 B 1 0.52860 0.34365 0.15645 1
B16 B 1 0.34347 0.52774 0.97190 1
B17 B 1 0.97202 0.52804 0.15638 1
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C128 C 1 0.22641 0.92579 0.25680 1
C129 C 1 0.25735 0.59011 0.22695 1
C130 C 1 0.58994 0.25662 0.92717 1
C131 C 1 0.58916 0.92638 0.22674 1
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C133 C 1 0.92717 0.58994 0.25662 1
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C139 C 1 0.77326 0.07362 0.41084 1
C140 C 1 0.07421 0.77359 0.74320 1
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C184 C 1 0.38078 0.04008 0.39809 1
C185 C 1 0.82034 0.95968 0.60253 1
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C215 C 1 0.35478 0.03692 0.17829 1
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C219 C 1 0.03675 0.35525 0.42812 1
C220 C 1 0.82644 0.13004 0.59873 1
C221 C 1 0.59754 0.44600 0.82660 1
C222 C 1 0.44649 0.59780 0.12919 1
C223 C 1 0.44569 0.12933 0.82643 1
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C226 C 1 0.13004 0.59873 0.82645 1
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C228 C 1 0.44600 0.82660 0.59754 1
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C230 C 1 0.59780 0.12918 0.44649 1
C231 C 1 0.17357 0.87067 0.55431 1
C232 C 1 0.86996 0.17355 0.40127 1
C233 C 1 0.55400 0.40246 0.17341 1
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C235 C 1 0.87067 0.55431 0.17357 1
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C237 C 1 0.55351 0.87081 0.40220 1
C238 C 1 0.40127 0.86996 0.17355 1
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C242 C 1 0.87081 0.40220 0.55351 1
C243 C 1 0.78882 0.07548 0.72891 1
C244 C 1 0.72839 0.40769 0.78829 1
C245 C 1 0.40850 0.72875 0.07469 1
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C252 C 1 0.78828 0.72839 0.40769 1
C253 C 1 0.72875 0.07469 0.40850 1
C254 C 1 0.21116 0.92574 0.59203 1
C255 C 1 0.92452 0.21118 0.27109 1
C256 C 1 0.59231 0.27161 0.21172 1
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C265 C 1 0.92531 0.27125 0.59150 1
C266 C 1 0.90052 0.96742 0.72249 1
C267 C 1 0.72134 0.40935 0.90093 1
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N127 N 1 0.44299 0.07852 0.86026 1
N128 N 1 0.86025 0.44299 0.07852 1
N129 N 1 0.07845 0.44336 0.61813 1
N130 N 1 0.07923 0.61820 0.86043 1
N131 N 1 0.61819 0.86043 0.07923 1
N132 N 1 0.44270 0.86023 0.61788 1
N133 N 1 0.86023 0.61787 0.44270 1
N134 N 1 0.61813 0.07845 0.44336 1
N135 N 1 0.13975 0.92148 0.55701 1
N136 N 1 0.92077 0.13957 0.38180 1
N137 N 1 0.55730 0.38212 0.13977 1
N138 N 1 0.38188 0.55664 0.92155 1
N139 N 1 0.92148 0.55701 0.13974 1
N140 N 1 0.55701 0.13975 0.92148 1
N141 N 1 0.55664 0.92155 0.38187 1
N142 N 1 0.38181 0.92077 0.13957 1
N143 N 1 0.13957 0.38181 0.92077 1
N144 N 1 0.13977 0.55730 0.38213 1
N145 N 1 0.38213 0.13977 0.55730 1
N146 N 1 0.92155 0.38187 0.55664 1
N147 N 1 0.79466 0.04359 0.70495 1
N148 N 1 0.70451 0.45765 0.79421 1
N149 N 1 0.45864 0.70448 0.04321 1
N150 N 1 0.45814 0.04274 0.79440 1
N151 N 1 0.79440 0.45814 0.04274 1
N152 N 1 0.04321 0.45864 0.70448 1
N153 N 1 0.04359 0.70495 0.79467 1
N154 N 1 0.70495 0.79467 0.04359 1
N155 N 1 0.45765 0.79421 0.70451 1
N156 N 1 0.79421 0.70451 0.45766 1
N157 N 1 0.70448 0.04321 0.45864 1
N158 N 1 0.20560 0.95726 0.54186 1
N159 N 1 0.95641 0.20533 0.29506 1
N160 N 1 0.54235 0.29549 0.20579 1
N161 N 1 0.29552 0.54136 0.95679 1
N162 N 1 0.95726 0.54186 0.20560 1
N163 N 1 0.54186 0.20560 0.95726 1
N164 N 1 0.54136 0.95679 0.29552 1
N165 N 1 0.29506 0.95641 0.20533 1
N166 N 1 0.20533 0.29506 0.95641 1
N167 N 1 0.20579 0.54234 0.29549 1
N168 N 1 0.29549 0.20579 0.54235 1
N169 N 1 0.95679 0.29552 0.54136 1
N170 N 1 0.89041 0.98160 0.67684 1
N171 N 1 0.67645 0.45186 0.89004 1
N172 N 1 0.45292 0.67699 0.98082 1
N173 N 1 0.45269 0.98077 0.89007 1
N174 N 1 0.89007 0.45269 0.98077 1
N175 N 1 0.98082 0.45292 0.67699 1
N176 N 1 0.98160 0.67684 0.89041 1
N177 N 1 0.67684 0.89042 0.98160 1
N178 N 1 0.45186 0.89004 0.67645 1
N179 N 1 0.89004 0.67645 0.45186 1
N180 N 1 0.67699 0.98082 0.45292 1
N181 N 1 0.10993 0.01923 0.54731 1
N182 N 1 0.01840 0.10959 0.32316 1
N183 N 1 0.54814 0.32355 0.10996 1
N184 N 1 0.32301 0.54708 0.01918 1
N185 N 1 0.01923 0.54731 0.10993 1
N186 N 1 0.54731 0.10993 0.01923 1
N187 N 1 0.54708 0.01918 0.32300 1
N188 N 1 0.32316 0.01840 0.10958 1
N189 N 1 0.10959 0.32316 0.01840 1
N190 N 1 0.10996 0.54814 0.32355 1
N191 N 1 0.32355 0.10996 0.54814 1
N192 N 1 0.01918 0.32301 0.54708 1
#End of data

data_mer
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
mer/H-H 2.59/Li-N 2.06-2.08
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: mer.cif. 
;
_cell_length_a                      25.7149
_cell_length_b                      25.7149
_cell_length_c                      18.0911
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        11962.85
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.04664 0.94939 0.49586 1
H2 H 1 0.45336 0.55061 0.49586 1
H3 H 1 0.45336 0.94939 0.00414 1
H4 H 1 0.04664 0.55061 0.00415 1
H5 H 1 0.55061 0.45336 0.00414 1
H6 H 1 0.94939 0.04664 0.00415 1
H7 H 1 0.55061 0.04664 0.49586 1
H8 H 1 0.94939 0.45336 0.49586 1
H9 H 1 0.95336 0.05061 0.50415 1
H10 H 1 0.54664 0.44939 0.50414 1
H11 H 1 0.54664 0.05061 0.99586 1
H12 H 1 0.95336 0.44939 0.99586 1
H13 H 1 0.44939 0.54664 0.99586 1
H14 H 1 0.05061 0.95336 0.99586 1
H15 H 1 0.44939 0.95336 0.50415 1
H16 H 1 0.09114 0.79334 0.99837 1
H17 H 1 0.40886 0.70666 0.99837 1
H18 H 1 0.40886 0.79334 0.50163 1
H19 H 1 0.09114 0.70666 0.50164 1
H20 H 1 0.70666 0.40886 0.50163 1
H21 H 1 0.79334 0.09114 0.50163 1
H22 H 1 0.70666 0.09114 0.99837 1
H23 H 1 0.79334 0.40885 0.99837 1
H24 H 1 0.90886 0.20666 0.00163 1
H25 H 1 0.59114 0.29334 0.00163 1
H26 H 1 0.59114 0.20666 0.49837 1
H27 H 1 0.90886 0.29334 0.49837 1
H28 H 1 0.29334 0.59114 0.49837 1
H29 H 1 0.20666 0.90886 0.49837 1
H30 H 1 0.29334 0.90886 0.00163 1
H31 H 1 0.96070 0.88401 0.06124 1
H32 H 1 0.53929 0.61600 0.06124 1
H33 H 1 0.53929 0.88400 0.43876 1
H34 H 1 0.96071 0.61599 0.43876 1
H35 H 1 0.61600 0.53929 0.43876 1
H36 H 1 0.88401 0.96071 0.43876 1
H37 H 1 0.61600 0.96071 0.06124 1
H38 H 1 0.88400 0.53929 0.06124 1
H39 H 1 0.03929 0.11600 0.93876 1
H40 H 1 0.46071 0.38400 0.93876 1
H41 H 1 0.46071 0.11600 0.56124 1
H42 H 1 0.03930 0.38400 0.56124 1
H43 H 1 0.38401 0.46071 0.56124 1
H44 H 1 0.11600 0.03929 0.56124 1
H45 H 1 0.38400 0.03929 0.93876 1
H46 H 1 0.69213 0.92109 0.98410 1
H47 H 1 0.80787 0.57891 0.98410 1
H48 H 1 0.80787 0.92109 0.51590 1
H49 H 1 0.69213 0.57891 0.51590 1
H50 H 1 0.57891 0.80787 0.51590 1
H51 H 1 0.92109 0.69213 0.51590 1
H52 H 1 0.57891 0.69213 0.98410 1
H53 H 1 0.92109 0.80787 0.98411 1
H54 H 1 0.30787 0.07891 0.01590 1
H55 H 1 0.19213 0.42109 0.01590 1
H56 H 1 0.19213 0.07891 0.48411 1
H57 H 1 0.30787 0.42109 0.48410 1
H58 H 1 0.42109 0.19213 0.48410 1
H59 H 1 0.07891 0.30787 0.48411 1
H60 H 1 0.42109 0.30787 0.01590 1
H61 H 1 0.07522 0.59744 0.13701 1
H62 H 1 0.42478 0.90257 0.13701 1
H63 H 1 0.42478 0.59743 0.36299 1
H64 H 1 0.07522 0.90257 0.36299 1
H65 H 1 0.90257 0.42478 0.36299 1
H66 H 1 0.59743 0.07522 0.36299 1
H67 H 1 0.90257 0.07522 0.13701 1
H68 H 1 0.59743 0.42478 0.13701 1
H69 H 1 0.92478 0.40257 0.86299 1
H70 H 1 0.57522 0.09743 0.86299 1
H71 H 1 0.57522 0.40257 0.63701 1
H72 H 1 0.92478 0.09743 0.63701 1
H73 H 1 0.09744 0.57522 0.63701 1
H74 H 1 0.40257 0.92478 0.63701 1
H75 H 1 0.09743 0.92478 0.86299 1
H76 H 1 0.42761 0.90188 0.29158 1
H77 H 1 0.07239 0.59812 0.29158 1
H78 H 1 0.07239 0.90188 0.20843 1
H79 H 1 0.42761 0.59812 0.20843 1
H80 H 1 0.59812 0.07239 0.20842 1
H81 H 1 0.90188 0.42761 0.20843 1
H82 H 1 0.59812 0.42761 0.29157 1
H83 H 1 0.90188 0.07239 0.29158 1
H84 H 1 0.57239 0.09812 0.70842 1
H85 H 1 0.92761 0.40188 0.70843 1
H86 H 1 0.92761 0.09812 0.79158 1
H87 H 1 0.57239 0.40188 0.79157 1
H88 H 1 0.40188 0.92761 0.79158 1
H89 H 1 0.09812 0.57239 0.79158 1
H90 H 1 0.40188 0.57239 0.70842 1
H91 H 1 0.79998 0.57636 0.53384 1
H92 H 1 0.70002 0.92364 0.53384 1
H93 H 1 0.70002 0.57636 0.96616 1
H94 H 1 0.79998 0.92364 0.96616 1
H95 H 1 0.92364 0.70002 0.96617 1
H96 H 1 0.57636 0.79998 0.96616 1
H97 H 1 0.92364 0.79998 0.53384 1
H98 H 1 0.57636 0.70002 0.53384 1
H99 H 1 0.20002 0.42364 0.46616 1
H100 H 1 0.29998 0.07636 0.46617 1
H101 H 1 0.29998 0.42364 0.03384 1
H102 H 1 0.20002 0.07636 0.03384 1
H103 H 1 0.07636 0.29998 0.03384 1
H104 H 1 0.42364 0.20002 0.03384 1
H105 H 1 0.07636 0.20002 0.46616 1
H106 H 1 0.52143 0.67324 0.77890 1
H107 H 1 0.97857 0.82676 0.77891 1
H108 H 1 0.97857 0.67324 0.72110 1
H109 H 1 0.52143 0.82676 0.72110 1
H110 H 1 0.82676 0.97857 0.72110 1
H111 H 1 0.67324 0.52143 0.72109 1
H112 H 1 0.82676 0.52143 0.77891 1
H113 H 1 0.67324 0.97857 0.77890 1
H114 H 1 0.47857 0.32676 0.22109 1
H115 H 1 0.02143 0.17324 0.22110 1
H116 H 1 0.02143 0.32676 0.27891 1
H117 H 1 0.47857 0.17324 0.27890 1
H118 H 1 0.17324 0.02143 0.27891 1
H119 H 1 0.32676 0.47857 0.27891 1
H120 H 1 0.17324 0.47857 0.22110 1
H121 H 1 0.44162 0.76441 0.63032 1
H122 H 1 0.05838 0.73559 0.63032 1
H123 H 1 0.05838 0.76441 0.86969 1
H124 H 1 0.44162 0.73559 0.86968 1
H125 H 1 0.73559 0.05838 0.86968 1
H126 H 1 0.76441 0.44162 0.86968 1
H127 H 1 0.73559 0.44162 0.63032 1
H128 H 1 0.76441 0.05838 0.63032 1
H129 H 1 0.55838 0.23559 0.36968 1
H130 H 1 0.94162 0.26441 0.36968 1
H131 H 1 0.94162 0.23559 0.13032 1
H132 H 1 0.55838 0.26441 0.13032 1
H133 H 1 0.26441 0.94162 0.13032 1
H134 H 1 0.23559 0.55838 0.13032 1
H135 H 1 0.26441 0.55838 0.36968 1
H136 H 1 0.54130 0.61762 0.45227 1
H137 H 1 0.95871 0.88238 0.45227 1
H138 H 1 0.95870 0.61762 0.04773 1
H139 H 1 0.54130 0.88238 0.04773 1
H140 H 1 0.88238 0.95871 0.04773 1
H141 H 1 0.61762 0.54129 0.04773 1
H142 H 1 0.88238 0.54129 0.45227 1
H143 H 1 0.61762 0.95870 0.45227 1
H144 H 1 0.45871 0.38238 0.54773 1
H145 H 1 0.04130 0.11762 0.54773 1
H146 H 1 0.04130 0.38238 0.95228 1
H147 H 1 0.45870 0.11762 0.95227 1
H148 H 1 0.11762 0.04130 0.95227 1
H149 H 1 0.38238 0.45871 0.95227 1
H150 H 1 0.11762 0.45870 0.54773 1
H151 H 1 0.56508 0.54890 0.66143 1
H152 H 1 0.93492 0.95110 0.66143 1
H153 H 1 0.93492 0.54890 0.83857 1
H154 H 1 0.56508 0.95110 0.83857 1
H155 H 1 0.95110 0.93492 0.83857 1
H156 H 1 0.54890 0.56508 0.83857 1
H157 H 1 0.95110 0.56508 0.66144 1
H158 H 1 0.54890 0.93492 0.66143 1
H159 H 1 0.43492 0.45110 0.33857 1
H160 H 1 0.06508 0.04890 0.33857 1
H161 H 1 0.06508 0.45110 0.16144 1
H162 H 1 0.43492 0.04890 0.16143 1
H163 H 1 0.04890 0.06508 0.16143 1
H164 H 1 0.45110 0.43492 0.16143 1
H165 H 1 0.04890 0.43492 0.33857 1
H166 H 1 0.34907 0.65942 0.58793 1
H167 H 1 0.15093 0.84058 0.58793 1
H168 H 1 0.15092 0.65943 0.91207 1
H169 H 1 0.34907 0.84057 0.91207 1
H170 H 1 0.84058 0.15093 0.91207 1
H171 H 1 0.65942 0.34907 0.91207 1
H172 H 1 0.84058 0.34907 0.58793 1
H173 H 1 0.65943 0.15093 0.58793 1
H174 H 1 0.65093 0.34058 0.41207 1
H175 H 1 0.84907 0.15942 0.41207 1
H176 H 1 0.84908 0.34058 0.08793 1
H177 H 1 0.65092 0.15943 0.08793 1
H178 H 1 0.15942 0.84907 0.08793 1
H179 H 1 0.34058 0.65093 0.08793 1
H180 H 1 0.15943 0.65093 0.41208 1
H181 H 1 0.34058 0.84907 0.41207 1
H182 H 1 0.45110 0.06508 0.33857 1
H183 H 1 0.38238 0.04130 0.54773 1
H184 H 1 0.23559 0.94162 0.36968 1
H185 H 1 0.32676 0.02143 0.22109 1
H186 H 1 0.42365 0.29998 0.46616 1
H187 H 1 0.09812 0.92761 0.70843 1
H188 H 1 0.40257 0.57522 0.86299 1
H189 H 1 0.07891 0.19213 0.01590 1
H190 H 1 0.11600 0.46071 0.93876 1
H191 H 1 0.20666 0.59114 0.00163 1
H192 H 1 0.05061 0.54664 0.50415 1
Li1 Li 1 0.48081 0.63980 0.60921 1
Li2 Li 1 0.01919 0.86020 0.60921 1
Li3 Li 1 0.01919 0.63980 0.89080 1
Li4 Li 1 0.48081 0.86020 0.89079 1
Li5 Li 1 0.86020 0.01919 0.89079 1
Li6 Li 1 0.63980 0.48081 0.89079 1
Li7 Li 1 0.86020 0.48081 0.60921 1
Li8 Li 1 0.63980 0.01919 0.60921 1
Li9 Li 1 0.51919 0.36020 0.39079 1
Li10 Li 1 0.98081 0.13980 0.39079 1
Li11 Li 1 0.98081 0.36020 0.10921 1
Li12 Li 1 0.51919 0.13980 0.10921 1
Li13 Li 1 0.13980 0.98081 0.10921 1
Li14 Li 1 0.36020 0.51919 0.10921 1
Li15 Li 1 0.13980 0.51919 0.39080 1
Li16 Li 1 0.36020 0.98081 0.39079 1
B1 B 1 0.01359 0.86034 0.92371 1
B2 B 1 0.48641 0.63966 0.92370 1
B3 B 1 0.48641 0.86034 0.57629 1
B4 B 1 0.01359 0.63966 0.57630 1
B5 B 1 0.63966 0.48641 0.57629 1
B6 B 1 0.86034 0.01359 0.57630 1
B7 B 1 0.63966 0.01359 0.92371 1
B8 B 1 0.86034 0.48641 0.92371 1
B9 B 1 0.98641 0.13966 0.07630 1
B10 B 1 0.51359 0.36034 0.07629 1
B11 B 1 0.51359 0.13966 0.42371 1
B12 B 1 0.98641 0.36034 0.42371 1
B13 B 1 0.36034 0.51359 0.42371 1
B14 B 1 0.13966 0.98641 0.42371 1
B15 B 1 0.36034 0.98641 0.07629 1
B16 B 1 0.13966 0.51359 0.07630 1
C1 C 1 0.08223 0.92817 0.50875 1
C2 C 1 0.41777 0.57183 0.50875 1
C3 C 1 0.41777 0.92817 0.99125 1
C4 C 1 0.08223 0.57183 0.99125 1
C5 C 1 0.57183 0.41777 0.99125 1
C6 C 1 0.92817 0.08223 0.99125 1
C7 C 1 0.57183 0.08223 0.50875 1
C8 C 1 0.92817 0.41777 0.50875 1
C9 C 1 0.91777 0.07183 0.49125 1
C10 C 1 0.58223 0.42817 0.49125 1
C11 C 1 0.58223 0.07183 0.00875 1
C12 C 1 0.91777 0.42817 0.00875 1
C13 C 1 0.42817 0.58223 0.00875 1
C14 C 1 0.07183 0.91777 0.00875 1
C15 C 1 0.42817 0.91777 0.49125 1
C16 C 1 0.09333 0.83480 0.01031 1
C17 C 1 0.40667 0.66520 0.01030 1
C18 C 1 0.40667 0.83480 0.48970 1
C19 C 1 0.09333 0.66520 0.48970 1
C20 C 1 0.66520 0.40667 0.48970 1
C21 C 1 0.83480 0.09333 0.48970 1
C22 C 1 0.66520 0.09333 0.01030 1
C23 C 1 0.83480 0.40667 0.01030 1
C24 C 1 0.90667 0.16520 0.98970 1
C25 C 1 0.59333 0.33480 0.98970 1
C26 C 1 0.59333 0.16520 0.51030 1
C27 C 1 0.90667 0.33480 0.51031 1
C28 C 1 0.33480 0.59333 0.51030 1
C29 C 1 0.16520 0.90667 0.51030 1
C30 C 1 0.33480 0.90667 0.98970 1
C31 C 1 0.94650 0.90514 0.01312 1
C32 C 1 0.55350 0.59486 0.01312 1
C33 C 1 0.55350 0.90514 0.48688 1
C34 C 1 0.94650 0.59486 0.48688 1
C35 C 1 0.59486 0.55350 0.48688 1
C36 C 1 0.90514 0.94650 0.48688 1
C37 C 1 0.59486 0.94650 0.01312 1
C38 C 1 0.90514 0.55350 0.01312 1
C39 C 1 0.05350 0.09486 0.98688 1
C40 C 1 0.44650 0.40514 0.98688 1
C41 C 1 0.44650 0.09486 0.51312 1
C42 C 1 0.05350 0.40514 0.51313 1
C43 C 1 0.40514 0.44650 0.51312 1
C44 C 1 0.09486 0.05350 0.51312 1
C45 C 1 0.40514 0.05350 0.98688 1
C46 C 1 0.71723 0.95016 0.95876 1
C47 C 1 0.78277 0.54984 0.95876 1
C48 C 1 0.78277 0.95016 0.54124 1
C49 C 1 0.71724 0.54984 0.54124 1
C50 C 1 0.54984 0.78277 0.54124 1
C51 C 1 0.95016 0.71723 0.54124 1
C52 C 1 0.54984 0.71723 0.95876 1
C53 C 1 0.95016 0.78277 0.95876 1
C54 C 1 0.28277 0.04984 0.04124 1
C55 C 1 0.21723 0.45016 0.04124 1
C56 C 1 0.21723 0.04984 0.45876 1
C57 C 1 0.28277 0.45016 0.45876 1
C58 C 1 0.45016 0.21723 0.45876 1
C59 C 1 0.04984 0.28277 0.45876 1
C60 C 1 0.45016 0.28277 0.04124 1
C61 C 1 0.09451 0.57270 0.17745 1
C62 C 1 0.40549 0.92731 0.17745 1
C63 C 1 0.40549 0.57269 0.32255 1
C64 C 1 0.09451 0.92731 0.32255 1
C65 C 1 0.92731 0.40549 0.32256 1
C66 C 1 0.57269 0.09451 0.32255 1
C67 C 1 0.92731 0.09451 0.17745 1
C68 C 1 0.57269 0.40549 0.17745 1
C69 C 1 0.90549 0.42731 0.82255 1
C70 C 1 0.59451 0.07269 0.82255 1
C71 C 1 0.59451 0.42731 0.67745 1
C72 C 1 0.90549 0.07269 0.67745 1
C73 C 1 0.07269 0.59451 0.67745 1
C74 C 1 0.42731 0.90549 0.67745 1
C75 C 1 0.07269 0.90549 0.82255 1
C76 C 1 0.40647 0.92749 0.25406 1
C77 C 1 0.09353 0.57251 0.25406 1
C78 C 1 0.09353 0.92749 0.24595 1
C79 C 1 0.40647 0.57251 0.24595 1
C80 C 1 0.57251 0.09353 0.24594 1
C81 C 1 0.92749 0.40647 0.24595 1
C82 C 1 0.57251 0.40647 0.25405 1
C83 C 1 0.92749 0.09353 0.25406 1
C84 C 1 0.59353 0.07251 0.74594 1
C85 C 1 0.90647 0.42749 0.74595 1
C86 C 1 0.90647 0.07251 0.75406 1
C87 C 1 0.59353 0.42749 0.75405 1
C88 C 1 0.42749 0.90647 0.75406 1
C89 C 1 0.07251 0.59353 0.75406 1
C90 C 1 0.42749 0.59353 0.74594 1
C91 C 1 0.77070 0.54804 0.55069 1
C92 C 1 0.72930 0.95196 0.55069 1
C93 C 1 0.72930 0.54804 0.94931 1
C94 C 1 0.77070 0.95196 0.94931 1
C95 C 1 0.95196 0.72930 0.94931 1
C96 C 1 0.54804 0.77070 0.94931 1
C97 C 1 0.95196 0.77070 0.55069 1
C98 C 1 0.54804 0.72930 0.55069 1
C99 C 1 0.22930 0.45196 0.44931 1
C100 C 1 0.27070 0.04804 0.44931 1
C101 C 1 0.27070 0.45196 0.05069 1
C102 C 1 0.22930 0.04804 0.05069 1
C103 C 1 0.04804 0.27070 0.05070 1
C104 C 1 0.45196 0.22930 0.05069 1
C105 C 1 0.04804 0.22930 0.44931 1
C106 C 1 0.48911 0.64573 0.77951 1
C107 C 1 0.01089 0.85427 0.77952 1
C108 C 1 0.01089 0.64573 0.72049 1
C109 C 1 0.48911 0.85427 0.72049 1
C110 C 1 0.85427 0.01089 0.72049 1
C111 C 1 0.64573 0.48911 0.72048 1
C112 C 1 0.85427 0.48911 0.77952 1
C113 C 1 0.64573 0.01089 0.77951 1
C114 C 1 0.51089 0.35427 0.22049 1
C115 C 1 0.98911 0.14573 0.22049 1
C116 C 1 0.98911 0.35427 0.27952 1
C117 C 1 0.51089 0.14573 0.27951 1
C118 C 1 0.14573 0.98911 0.27952 1
C119 C 1 0.35427 0.51089 0.27951 1
C120 C 1 0.14573 0.51089 0.22049 1
C121 C 1 0.47840 0.76056 0.60068 1
C122 C 1 0.02161 0.73944 0.60068 1
C123 C 1 0.02160 0.76056 0.89932 1
C124 C 1 0.47840 0.73944 0.89932 1
C125 C 1 0.73944 0.02161 0.89932 1
C126 C 1 0.76056 0.47839 0.89932 1
C127 C 1 0.73944 0.47839 0.60068 1
C128 C 1 0.76056 0.02160 0.60068 1
C129 C 1 0.52161 0.23944 0.39932 1
C130 C 1 0.97840 0.26056 0.39932 1
C131 C 1 0.97840 0.23944 0.10068 1
C132 C 1 0.52160 0.26056 0.10068 1
C133 C 1 0.26056 0.97839 0.10068 1
C134 C 1 0.23944 0.52161 0.10068 1
C135 C 1 0.26056 0.52160 0.39932 1
C136 C 1 0.55744 0.59197 0.49452 1
C137 C 1 0.94256 0.90803 0.49453 1
C138 C 1 0.94256 0.59197 0.00548 1
C139 C 1 0.55744 0.90803 0.00548 1
C140 C 1 0.90803 0.94256 0.00548 1
C141 C 1 0.59197 0.55744 0.00547 1
C142 C 1 0.90803 0.55744 0.49453 1
C143 C 1 0.59197 0.94256 0.49453 1
C144 C 1 0.44256 0.40803 0.50547 1
C145 C 1 0.05744 0.09197 0.50548 1
C146 C 1 0.05744 0.40803 0.99453 1
C147 C 1 0.44256 0.09197 0.99453 1
C148 C 1 0.09197 0.05744 0.99453 1
C149 C 1 0.40803 0.44256 0.99453 1
C150 C 1 0.09197 0.44256 0.50548 1
C151 C 1 0.56863 0.55795 0.60274 1
C152 C 1 0.93138 0.94205 0.60274 1
C153 C 1 0.93138 0.55795 0.89726 1
C154 C 1 0.56862 0.94205 0.89726 1
C155 C 1 0.94205 0.93138 0.89726 1
C156 C 1 0.55795 0.56862 0.89726 1
C157 C 1 0.94205 0.56862 0.60275 1
C158 C 1 0.55795 0.93138 0.60274 1
C159 C 1 0.43138 0.44205 0.39726 1
C160 C 1 0.06863 0.05795 0.39726 1
C161 C 1 0.06863 0.44205 0.10275 1
C162 C 1 0.43137 0.05795 0.10274 1
C163 C 1 0.05795 0.06863 0.10274 1
C164 C 1 0.44205 0.43138 0.10274 1
C165 C 1 0.05795 0.43138 0.39726 1
C166 C 1 0.36317 0.62690 0.55475 1
C167 C 1 0.13683 0.87310 0.55475 1
C168 C 1 0.13683 0.62690 0.94525 1
C169 C 1 0.36317 0.87310 0.94525 1
C170 C 1 0.87310 0.13683 0.94525 1
C171 C 1 0.62690 0.36317 0.94525 1
C172 C 1 0.87310 0.36317 0.55475 1
C173 C 1 0.62690 0.13683 0.55475 1
C174 C 1 0.63683 0.37310 0.44525 1
C175 C 1 0.86317 0.12690 0.44525 1
C176 C 1 0.86317 0.37310 0.05475 1
C177 C 1 0.63683 0.12690 0.05475 1
C178 C 1 0.12690 0.86317 0.05475 1
C179 C 1 0.37310 0.63683 0.05475 1
C180 C 1 0.12690 0.63683 0.44525 1
C181 C 1 0.37310 0.86317 0.44525 1
C182 C 1 0.44205 0.06863 0.39726 1
C183 C 1 0.40803 0.05744 0.50547 1
C184 C 1 0.23944 0.97839 0.39932 1
C185 C 1 0.35427 0.98911 0.22049 1
C186 C 1 0.45196 0.27070 0.44931 1
C187 C 1 0.07251 0.90647 0.74595 1
C188 C 1 0.42731 0.59451 0.82255 1
C189 C 1 0.04984 0.21723 0.04124 1
C190 C 1 0.09486 0.44650 0.98688 1
C191 C 1 0.16520 0.59333 0.98970 1
C192 C 1 0.07183 0.58223 0.49126 1
N1 N 1 0.05786 0.87000 0.98092 1
N2 N 1 0.44214 0.63000 0.98092 1
N3 N 1 0.44214 0.87000 0.51908 1
N4 N 1 0.05786 0.63000 0.51909 1
N5 N 1 0.63000 0.44214 0.51908 1
N6 N 1 0.87000 0.05786 0.51908 1
N7 N 1 0.63000 0.05786 0.98092 1
N8 N 1 0.87000 0.44214 0.98092 1
N9 N 1 0.94214 0.13000 0.01908 1
N10 N 1 0.55786 0.37000 0.01908 1
N11 N 1 0.55786 0.13000 0.48092 1
N12 N 1 0.94214 0.37000 0.48092 1
N13 N 1 0.37001 0.55786 0.48092 1
N14 N 1 0.13000 0.94214 0.48092 1
N15 N 1 0.37000 0.94214 0.01908 1
N16 N 1 0.96819 0.89796 0.94338 1
N17 N 1 0.53181 0.60204 0.94338 1
N18 N 1 0.53181 0.89796 0.55662 1
N19 N 1 0.96819 0.60204 0.55662 1
N20 N 1 0.60205 0.53181 0.55662 1
N21 N 1 0.89796 0.96819 0.55662 1
N22 N 1 0.60204 0.96819 0.94338 1
N23 N 1 0.89796 0.53181 0.94338 1
N24 N 1 0.03181 0.10204 0.05662 1
N25 N 1 0.46819 0.39796 0.05662 1
N26 N 1 0.46819 0.10204 0.44338 1
N27 N 1 0.03181 0.39796 0.44338 1
N28 N 1 0.39796 0.46819 0.44338 1
N29 N 1 0.10204 0.03181 0.44338 1
N30 N 1 0.39796 0.03181 0.05662 1
N31 N 1 0.99496 0.80284 0.92652 1
N32 N 1 0.50504 0.69716 0.92651 1
N33 N 1 0.50504 0.80284 0.57348 1
N34 N 1 0.99496 0.69716 0.57349 1
N35 N 1 0.69716 0.50504 0.57348 1
N36 N 1 0.80284 0.99496 0.57349 1
N37 N 1 0.69716 0.99496 0.92652 1
N38 N 1 0.80284 0.50504 0.92652 1
N39 N 1 0.00504 0.19716 0.07349 1
N40 N 1 0.49496 0.30284 0.07348 1
N41 N 1 0.49496 0.19716 0.42652 1
N42 N 1 0.00504 0.30284 0.42652 1
N43 N 1 0.30284 0.49496 0.42652 1
N44 N 1 0.19716 0.00504 0.42652 1
N45 N 1 0.30284 0.00504 0.07349 1
N46 N 1 0.03320 0.87174 0.84401 1
N47 N 1 0.46680 0.62826 0.84401 1
N48 N 1 0.46680 0.87174 0.65599 1
N49 N 1 0.03320 0.62826 0.65599 1
N50 N 1 0.62826 0.46680 0.65599 1
N51 N 1 0.87174 0.03320 0.65599 1
N52 N 1 0.62826 0.03320 0.84401 1
N53 N 1 0.87174 0.46680 0.84401 1
N54 N 1 0.96680 0.12826 0.15599 1
N55 N 1 0.53320 0.37174 0.15599 1
N56 N 1 0.53320 0.12826 0.34401 1
N57 N 1 0.96680 0.37174 0.34401 1
N58 N 1 0.37174 0.53320 0.34401 1
N59 N 1 0.12826 0.96680 0.34401 1
N60 N 1 0.37174 0.96680 0.15599 1
N61 N 1 0.46643 0.62580 0.71918 1
N62 N 1 0.03357 0.87420 0.71918 1
N63 N 1 0.03357 0.62580 0.78083 1
N64 N 1 0.46643 0.87420 0.78082 1
N65 N 1 0.87420 0.03357 0.78082 1
N66 N 1 0.62580 0.46643 0.78082 1
N67 N 1 0.87420 0.46643 0.71918 1
N68 N 1 0.62580 0.03357 0.71918 1
N69 N 1 0.53357 0.37420 0.28082 1
N70 N 1 0.96643 0.12580 0.28082 1
N71 N 1 0.96643 0.37420 0.21918 1
N72 N 1 0.53357 0.12580 0.21918 1
N73 N 1 0.12580 0.96643 0.21918 1
N74 N 1 0.37420 0.53357 0.21918 1
N75 N 1 0.12580 0.53357 0.28083 1
N76 N 1 0.50296 0.71552 0.58797 1
N77 N 1 0.99704 0.78448 0.58797 1
N78 N 1 0.99704 0.71552 0.91203 1
N79 N 1 0.50296 0.78448 0.91203 1
N80 N 1 0.78448 0.99704 0.91203 1
N81 N 1 0.71552 0.50296 0.91203 1
N82 N 1 0.78448 0.50296 0.58797 1
N83 N 1 0.71552 0.99704 0.58797 1
N84 N 1 0.49705 0.28448 0.41203 1
N85 N 1 0.00296 0.21552 0.41203 1
N86 N 1 0.00296 0.28448 0.08798 1
N87 N 1 0.49704 0.21552 0.08797 1
N88 N 1 0.21552 0.00296 0.08797 1
N89 N 1 0.28448 0.49704 0.08797 1
N90 N 1 0.21552 0.49704 0.41203 1
N91 N 1 0.54100 0.59450 0.56751 1
N92 N 1 0.95900 0.90550 0.56751 1
N93 N 1 0.95900 0.59450 0.93249 1
N94 N 1 0.54100 0.90550 0.93249 1
N95 N 1 0.90549 0.95900 0.93249 1
N96 N 1 0.59451 0.54100 0.93249 1
N97 N 1 0.90550 0.54100 0.56751 1
N98 N 1 0.59451 0.95900 0.56751 1
N99 N 1 0.45900 0.40549 0.43249 1
N100 N 1 0.04100 0.09450 0.43249 1
N101 N 1 0.04100 0.40550 0.06752 1
N102 N 1 0.45900 0.09450 0.06751 1
N103 N 1 0.09450 0.04100 0.06751 1
N104 N 1 0.40550 0.45900 0.06751 1
N105 N 1 0.09451 0.45900 0.43249 1
N106 N 1 0.41535 0.61327 0.55351 1
N107 N 1 0.08465 0.88673 0.55352 1
N108 N 1 0.08465 0.61327 0.94649 1
N109 N 1 0.41535 0.88673 0.94649 1
N110 N 1 0.88673 0.08465 0.94649 1
N111 N 1 0.61327 0.41535 0.94648 1
N112 N 1 0.88673 0.41535 0.55352 1
N113 N 1 0.61327 0.08465 0.55351 1
N114 N 1 0.58465 0.38673 0.44648 1
N115 N 1 0.91535 0.11327 0.44649 1
N116 N 1 0.91535 0.38673 0.05352 1
N117 N 1 0.58465 0.11327 0.05351 1
N118 N 1 0.11327 0.91535 0.05352 1
N119 N 1 0.38673 0.58465 0.05351 1
N120 N 1 0.11327 0.58465 0.44649 1
N121 N 1 0.38673 0.91535 0.44649 1
N122 N 1 0.40550 0.04100 0.43249 1
N123 N 1 0.28448 0.00296 0.41203 1
N124 N 1 0.37420 0.96643 0.28082 1
N125 N 1 0.12826 0.53321 0.15599 1
N126 N 1 0.19716 0.49496 0.07349 1
N127 N 1 0.10204 0.46819 0.05662 1
N128 N 1 0.13000 0.55786 0.01909 1
#End of data

data_mmt
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
mmt/H-H 2.16/Li-N 2.06-2.22
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: mmt.cif. 
;
_cell_length_a                      13.9764
_cell_length_b                      8.5678
_cell_length_c                      17.0923
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        2046.752
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.12806 0.08205 0.84982 1
H2 H 1 0.16461 0.16185 0.00506 1
H3 H 1 0.90819 0.90364 0.99563 1
H4 H 1 0.62840 0.91958 0.65016 1
H5 H 1 0.66477 0.83896 0.49499 1
H6 H 1 0.40771 0.09552 0.50442 1
H7 H 1 0.87701 0.48124 0.60529 1
H8 H 1 0.78535 0.58197 0.47015 1
H9 H 1 0.07303 0.46366 0.41825 1
H10 H 1 0.37714 0.51825 0.89459 1
H11 H 1 0.28553 0.41762 0.02978 1
H12 H 1 0.57320 0.53608 0.08160 1
H13 H 1 0.26623 0.48780 0.28707 1
H14 H 1 0.11584 0.27365 0.28808 1
H15 H 1 0.29733 0.17207 0.09770 1
H16 H 1 0.76610 0.51232 0.21275 1
H17 H 1 0.61570 0.72648 0.21186 1
H18 H 1 0.79722 0.82766 0.40229 1
H19 H 1 0.66360 0.72095 0.73622 1
H20 H 1 0.81872 0.91722 0.70799 1
H21 H 1 0.84520 0.71124 0.93277 1
H22 H 1 0.16371 0.28039 0.76373 1
H23 H 1 0.31874 0.08397 0.79204 1
H24 H 1 0.34510 0.28892 0.56703 1
H25 H 1 0.17518 0.91427 0.27885 1
H26 H 1 0.09738 0.70345 0.38459 1
H27 H 1 0.91167 0.75306 0.18975 1
H28 H 1 0.72097 0.43342 0.74033 1
H29 H 1 0.65005 0.21727 0.63360 1
H30 H 1 0.45379 0.27200 0.82123 1
H31 H 1 0.85081 0.19042 0.83830 1
H32 H 1 0.90729 0.43527 0.74171 1
H33 H 1 0.06486 0.03246 0.68094 1
H34 H 1 0.22145 0.56870 0.75867 1
H35 H 1 0.15074 0.78461 0.86562 1
H36 H 1 0.95315 0.72781 0.67909 1
H37 H 1 0.35068 0.81025 0.66188 1
H38 H 1 0.40729 0.56550 0.75846 1
H39 H 1 0.56490 0.96836 0.81905 1
H40 H 1 0.32932 0.72375 0.13052 1
H41 H 1 0.37402 0.96382 0.23412 1
H42 H 1 0.50309 0.54734 0.31391 1
H43 H 1 0.82887 0.27614 0.36910 1
H44 H 1 0.87393 0.03605 0.26561 1
H45 H 1 0.00330 0.45249 0.18611 1
H46 H 1 0.67535 0.08583 0.22144 1
H47 H 1 0.59776 0.29673 0.11564 1
H48 H 1 0.41146 0.24645 0.31004 1
Li1 Li 1 0.05047 0.06785 0.14737 1
Li2 Li 1 0.58900 0.58584 0.87419 1
Li3 Li 1 0.55023 0.93192 0.35265 1
Li4 Li 1 0.08886 0.41471 0.62566 1
B1 B 1 0.40933 0.42682 0.16959 1
B2 B 1 0.90917 0.57297 0.33033 1
B3 B 1 0.96246 0.91372 0.82135 1
B4 B 1 0.46241 0.08692 0.67863 1
C1 C 1 0.08887 0.05529 0.90320 1
C2 C 1 0.10582 0.09398 0.98049 1
C3 C 1 0.97447 0.96064 0.97796 1
C4 C 1 0.58901 0.94569 0.59679 1
C5 C 1 0.60586 0.90661 0.51954 1
C6 C 1 0.47418 0.03908 0.52208 1
C7 C 1 0.90601 0.49629 0.54654 1
C8 C 1 0.85932 0.54739 0.47976 1
C9 C 1 0.00864 0.48699 0.45238 1
C10 C 1 0.40617 0.50330 0.95333 1
C11 C 1 0.35951 0.45222 0.02013 1
C12 C 1 0.50882 0.51270 0.04747 1
C13 C 1 0.25036 0.39027 0.24833 1
C14 C 1 0.17561 0.28402 0.24746 1
C15 C 1 0.26579 0.22943 0.14856 1
C16 C 1 0.75023 0.60976 0.25155 1
C17 C 1 0.67549 0.71604 0.25248 1
C18 C 1 0.76566 0.77038 0.35140 1
C19 C 1 0.72420 0.74891 0.77379 1
C20 C 1 0.80121 0.84551 0.75859 1
C21 C 1 0.81476 0.74290 0.87617 1
C22 C 1 0.22426 0.25218 0.72613 1
C23 C 1 0.30123 0.15551 0.74138 1
C24 C 1 0.31472 0.25757 0.62367 1
C25 C 1 0.10870 0.84802 0.27514 1
C26 C 1 0.07128 0.74107 0.32771 1
C27 C 1 0.97444 0.76801 0.22707 1
C28 C 1 0.65421 0.36783 0.74184 1
C29 C 1 0.62008 0.25984 0.68836 1
C30 C 1 0.51765 0.28784 0.78533 1
C31 C 1 0.90261 0.19396 0.79071 1
C32 C 1 0.93102 0.31388 0.74165 1
C33 C 1 0.01350 0.11044 0.70894 1
C34 C 1 0.15448 0.63376 0.75746 1
C35 C 1 0.12048 0.74168 0.81103 1
C36 C 1 0.01735 0.71255 0.71464 1
C37 C 1 0.40253 0.80678 0.70943 1
C38 C 1 0.43100 0.68690 0.75850 1
C39 C 1 0.51350 0.89038 0.79111 1
C40 C 1 0.37124 0.72308 0.18426 1
C41 C 1 0.39388 0.84075 0.23664 1
C42 C 1 0.46070 0.62977 0.27979 1
C43 C 1 0.87098 0.27681 0.31545 1
C44 C 1 0.89378 0.15913 0.26314 1
C45 C 1 0.96079 0.37007 0.22015 1
C46 C 1 0.60884 0.15197 0.22503 1
C47 C 1 0.57151 0.25895 0.17244 1
C48 C 1 0.47436 0.23168 0.27285 1
N1 N 1 0.00457 0.96852 0.90143 1
N2 N 1 0.03370 0.03436 0.02744 1
N3 N 1 0.50450 0.03192 0.59857 1
N4 N 1 0.53348 0.96544 0.47261 1
N5 N 1 0.00026 0.45921 0.52910 1
N6 N 1 0.92578 0.54323 0.41918 1
N7 N 1 0.50042 0.54045 0.97074 1
N8 N 1 0.42598 0.45644 0.08071 1
N9 N 1 0.30816 0.35554 0.18443 1
N10 N 1 0.18442 0.18461 0.18371 1
N11 N 1 0.80804 0.64436 0.31547 1
N12 N 1 0.68429 0.81530 0.31629 1
N13 N 1 0.73177 0.68647 0.84848 1
N14 N 1 0.85972 0.84230 0.82460 1
N15 N 1 0.23178 0.31427 0.65136 1
N16 N 1 0.35967 0.15834 0.67532 1
N17 N 1 0.04729 0.86496 0.21206 1
N18 N 1 0.98478 0.68927 0.29675 1
N19 N 1 0.58939 0.38582 0.80260 1
N20 N 1 0.53219 0.20794 0.71645 1
N21 N 1 0.95589 0.06345 0.76963 1
N22 N 1 0.00077 0.26105 0.69029 1
N23 N 1 0.08924 0.61506 0.69706 1
N24 N 1 0.03221 0.79277 0.78338 1
N25 N 1 0.45583 0.93732 0.73045 1
N26 N 1 0.50080 0.73980 0.80981 1
N27 N 1 0.41484 0.58774 0.21186 1
N28 N 1 0.45071 0.78200 0.29642 1
N29 N 1 0.91468 0.41213 0.28796 1
N30 N 1 0.95084 0.21785 0.20350 1
N31 N 1 0.54721 0.13484 0.28797 1
N32 N 1 0.48488 0.31054 0.20323 1
#End of data

data_mog
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
mog/Li-N N=24; R=2.04-2.09/B-N 1.55-1.56
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_mog.cif. 
;
_cell_length_a                      17.6644
_cell_length_b                      19.2118
_cell_length_c                      8.963
_cell_angle_alpha                   90
_cell_angle_beta                    66.47
_cell_angle_gamma                   90
_cell_volume                        2788.812
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.90434 0.52043 0.41012 1
H2 H 1 0.03478 0.56779 0.13302 1
H3 H 1 0.82805 0.70136 0.24098 1
H4 H 1 0.85190 0.15924 0.15860 1
H5 H 1 0.75328 0.96153 0.34974 1
H6 H 1 0.86282 0.06976 0.90516 1
H7 H 1 0.83103 0.78812 0.74326 1
H8 H 1 0.94076 0.68345 0.74031 1
H9 H 1 0.91311 0.82769 0.11778 1
H10 H 1 0.07965 0.14207 0.46364 1
H11 H 1 0.15175 0.33290 0.60226 1
H12 H 1 0.26585 0.23059 0.59046 1
H13 H 1 0.07032 0.01831 0.61159 1
H14 H 1 0.30143 0.02085 0.20666 1
H15 H 1 0.06968 0.92076 0.37999 1
H16 H 1 0.18261 0.32967 0.27064 1
H17 H 1 0.97854 0.41555 0.20368 1
H18 H 1 0.12271 0.45716 0.94641 1
H19 H 1 0.62272 0.04283 0.44640 1
H20 H 1 0.47854 0.08445 0.70366 1
H21 H 1 0.68261 0.17031 0.77070 1
H22 H 1 0.56970 0.57926 0.88003 1
H23 H 1 0.80144 0.47915 0.70670 1
H24 H 1 0.57032 0.48170 0.11160 1
H25 H 1 0.76586 0.26943 0.09043 1
H26 H 1 0.65173 0.16712 0.10226 1
H27 H 1 0.57965 0.35794 0.96368 1
H28 H 1 0.41313 0.67232 0.61780 1
H29 H 1 0.44076 0.81650 0.24027 1
H30 H 1 0.33102 0.71183 0.24330 1
H31 H 1 0.36283 0.43022 0.40516 1
H32 H 1 0.25328 0.53844 0.84976 1
H33 H 1 0.35190 0.34073 0.65855 1
H34 H 1 0.32806 0.79862 0.74090 1
H35 H 1 0.53477 0.93224 0.63298 1
H36 H 1 0.40431 0.97958 0.91009 1
H37 H 1 0.59566 0.97956 0.08989 1
H38 H 1 0.46521 0.93221 0.36700 1
H39 H 1 0.67194 0.79863 0.25903 1
H40 H 1 0.64810 0.34075 0.34141 1
H41 H 1 0.74672 0.53846 0.15027 1
H42 H 1 0.63718 0.43023 0.59484 1
H43 H 1 0.66896 0.71187 0.75675 1
H44 H 1 0.55923 0.81655 0.75970 1
H45 H 1 0.58688 0.67231 0.38223 1
H46 H 1 0.42034 0.35793 0.03636 1
H47 H 1 0.34825 0.16711 0.89774 1
H48 H 1 0.23414 0.26941 0.90954 1
H49 H 1 0.42967 0.48168 0.88841 1
H50 H 1 0.19856 0.47915 0.29334 1
H51 H 1 0.43031 0.57924 0.12001 1
H52 H 1 0.31738 0.17034 0.22937 1
H53 H 1 0.52145 0.08444 0.29631 1
H54 H 1 0.37728 0.04284 0.55359 1
H55 H 1 0.87728 0.45716 0.05360 1
H56 H 1 0.02146 0.41555 0.79634 1
H57 H 1 0.81738 0.32968 0.72930 1
H58 H 1 0.93029 0.92073 0.61998 1
H59 H 1 0.69855 0.02084 0.79330 1
H60 H 1 0.92967 0.01830 0.38842 1
H61 H 1 0.73414 0.23057 0.40958 1
H62 H 1 0.84826 0.33287 0.39775 1
H63 H 1 0.92034 0.14205 0.53633 1
H64 H 1 0.08686 0.82768 0.88222 1
H65 H 1 0.05924 0.68350 0.25973 1
H66 H 1 0.16898 0.78817 0.25669 1
H67 H 1 0.13716 0.06978 0.09484 1
H68 H 1 0.24671 0.96155 0.65025 1
H69 H 1 0.14808 0.15927 0.84145 1
H70 H 1 0.17193 0.70138 0.75911 1
H71 H 1 0.96523 0.56776 0.86704 1
H72 H 1 0.09568 0.52042 0.58992 1
Li1 Li 1 0.78136 0.91383 0.98067 1
Li2 Li 1 0.28137 0.58616 0.48072 1
Li3 Li 1 0.71863 0.58617 0.51934 1
Li4 Li 1 0.00000 0.30602 0.50000 1
Li5 Li 1 0.50000 0.19398 0.00000 1
Li6 Li 1 0.21862 0.91384 0.01928 1
B1 B 1 0.22571 0.09362 0.51809 1
B2 B 1 0.72571 0.40640 0.01807 1
B3 B 1 0.00000 0.69591 0.00000 1
B4 B 1 0.27428 0.40638 0.98192 1
B5 B 1 0.50000 0.80409 0.50000 1
B6 B 1 0.77428 0.09360 0.48193 1
C1 C 1 0.90697 0.56564 0.33452 1
C2 C 1 0.97268 0.58848 0.19652 1
C3 C 1 0.86575 0.65822 0.25173 1
C4 C 1 0.83191 0.10552 0.16051 1
C5 C 1 0.78097 0.00289 0.26100 1
C6 C 1 0.83751 0.06024 0.03603 1
C7 C 1 0.86374 0.78085 0.82287 1
C8 C 1 0.91810 0.72836 0.81996 1
C9 C 1 0.90410 0.80301 0.01639 1
C10 C 1 0.11325 0.18103 0.50180 1
C11 C 1 0.15249 0.27778 0.57216 1
C12 C 1 0.20979 0.22761 0.56764 1
C13 C 1 0.11734 0.00520 0.49221 1
C14 C 1 0.23795 0.00643 0.28308 1
C15 C 1 0.11823 0.95661 0.37694 1
C16 C 1 0.14543 0.35911 0.22044 1
C17 C 1 0.04254 0.40415 0.18246 1
C18 C 1 0.11374 0.42536 0.05291 1
C19 C 1 0.61375 0.07463 0.55292 1
C20 C 1 0.54255 0.09584 0.68246 1
C21 C 1 0.64542 0.14088 0.72049 1
C22 C 1 0.61824 0.54341 0.87697 1
C23 C 1 0.73794 0.49358 0.78313 1
C24 C 1 0.61734 0.49481 0.99226 1
C25 C 1 0.70980 0.27239 0.06762 1
C26 C 1 0.65249 0.22224 0.07215 1
C27 C 1 0.61325 0.31898 0.00180 1
C28 C 1 0.40411 0.69698 0.51638 1
C29 C 1 0.41811 0.77160 0.31993 1
C30 C 1 0.36374 0.71911 0.32289 1
C31 C 1 0.33753 0.43973 0.53601 1
C32 C 1 0.28098 0.49709 0.76101 1
C33 C 1 0.33191 0.39447 0.66048 1
C34 C 1 0.36575 0.84179 0.75167 1
C35 C 1 0.47266 0.91153 0.69647 1
C36 C 1 0.40694 0.93437 0.83449 1
C37 C 1 0.59302 0.93435 0.16549 1
C38 C 1 0.52732 0.91151 0.30349 1
C39 C 1 0.63425 0.84178 0.24828 1
C40 C 1 0.66809 0.39447 0.33950 1
C41 C 1 0.71903 0.49711 0.23901 1
C42 C 1 0.66249 0.43975 0.46398 1
C43 C 1 0.63625 0.71914 0.67715 1
C44 C 1 0.58189 0.77163 0.68006 1
C45 C 1 0.59589 0.69699 0.48362 1
C46 C 1 0.38674 0.31897 0.99820 1
C47 C 1 0.34750 0.22222 0.92784 1
C48 C 1 0.29020 0.27238 0.93236 1
C49 C 1 0.38265 0.49479 0.00779 1
C50 C 1 0.26204 0.49357 0.21692 1
C51 C 1 0.38177 0.54339 0.12306 1
C52 C 1 0.35456 0.14089 0.27956 1
C53 C 1 0.45744 0.09584 0.31754 1
C54 C 1 0.38625 0.07464 0.44708 1
C55 C 1 0.88625 0.42536 0.94708 1
C56 C 1 0.95745 0.40416 0.81754 1
C57 C 1 0.85457 0.35912 0.77952 1
C58 C 1 0.88175 0.95659 0.62304 1
C59 C 1 0.76205 0.00641 0.71688 1
C60 C 1 0.88265 0.00519 0.50776 1
C61 C 1 0.79019 0.22760 0.43238 1
C62 C 1 0.84750 0.27776 0.42785 1
C63 C 1 0.88675 0.18101 0.49820 1
C64 C 1 0.09588 0.80302 0.98363 1
C65 C 1 0.08189 0.72840 0.18007 1
C66 C 1 0.13626 0.78089 0.17711 1
C67 C 1 0.16247 0.06027 0.96399 1
C68 C 1 0.21901 0.00290 0.73899 1
C69 C 1 0.16808 0.10553 0.83952 1
C70 C 1 0.13425 0.65821 0.74834 1
C71 C 1 0.02733 0.58847 0.80355 1
C72 C 1 0.09305 0.56563 0.66552 1
N1 N 1 0.83977 0.60953 0.36845 1
N2 N 1 0.94589 0.64801 0.14335 1
N3 N 1 0.79529 0.06848 0.30517 1
N4 N 1 0.80524 0.99589 0.10003 1
N5 N 1 0.85516 0.82766 0.94652 1
N6 N 1 0.94420 0.74271 0.94418 1
N7 N 1 0.09208 0.24826 0.52983 1
N8 N 1 0.18416 0.16543 0.52296 1
N9 N 1 0.19444 0.03734 0.43112 1
N10 N 1 0.19429 0.95756 0.24590 1
N11 N 1 0.06283 0.36274 0.28782 1
N12 N 1 0.17976 0.39603 0.07777 1
N13 N 1 0.67975 0.10395 0.57778 1
N14 N 1 0.56285 0.13725 0.78785 1
N15 N 1 0.69430 0.54245 0.74593 1
N16 N 1 0.69445 0.46267 0.93112 1
N17 N 1 0.68415 0.33458 0.02292 1
N18 N 1 0.59208 0.25176 0.02983 1
N19 N 1 0.44421 0.75727 0.44414 1
N20 N 1 0.35515 0.67231 0.44652 1
N21 N 1 0.30525 0.50410 0.60005 1
N22 N 1 0.29530 0.43150 0.80516 1
N23 N 1 0.44589 0.85199 0.64329 1
N24 N 1 0.33977 0.89047 0.86839 1
N25 N 1 0.66023 0.89046 0.13156 1
N26 N 1 0.55411 0.85198 0.35666 1
N27 N 1 0.70471 0.43151 0.19484 1
N28 N 1 0.69476 0.50411 0.39997 1
N29 N 1 0.64484 0.67233 0.55350 1
N30 N 1 0.55580 0.75728 0.55583 1
N31 N 1 0.40791 0.25174 0.97017 1
N32 N 1 0.31583 0.33457 0.97705 1
N33 N 1 0.30555 0.46266 0.06889 1
N34 N 1 0.30570 0.54244 0.25410 1
N35 N 1 0.43715 0.13726 0.21218 1
N36 N 1 0.32023 0.10397 0.42223 1
N37 N 1 0.82025 0.39604 0.92222 1
N38 N 1 0.93715 0.36275 0.71215 1
N39 N 1 0.80569 0.95754 0.75408 1
N40 N 1 0.80555 0.03732 0.56889 1
N41 N 1 0.81584 0.16541 0.47708 1
N42 N 1 0.90792 0.24824 0.47017 1
N43 N 1 0.05578 0.74273 0.05588 1
N44 N 1 0.14484 0.82769 0.05348 1
N45 N 1 0.19474 0.99590 0.89995 1
N46 N 1 0.20469 0.06850 0.69485 1
N47 N 1 0.05410 0.64801 0.85673 1
N48 N 1 0.16023 0.60953 0.63161 1
#End of data

data_neb
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
neb/H-H 2.30/2.06-2.13
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: neb.cif. 
;
_cell_length_a                      13.6391
_cell_length_b                      9.7639
_cell_length_c                      15.5213
_cell_angle_alpha                   58.95
_cell_angle_beta                    38.43
_cell_angle_gamma                   81.14
_cell_volume                        971.7927
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.14234 0.74262 0.78465 1
H2 H 1 0.42696 0.59221 0.81704 1
H3 H 1 0.66710 0.86901 0.45667 1
H4 H 1 0.72203 0.30203 0.95817 1
H5 H 1 0.75029 0.82604 0.02426 1
H6 H 1 0.55412 0.76631 0.33156 1
H7 H 1 0.72977 0.45794 0.39169 1
H8 H 1 0.90512 0.92050 0.48159 1
H9 H 1 0.83025 0.85363 0.79470 1
H10 H 1 0.79721 0.65341 0.43465 1
H11 H 1 0.85508 0.22897 0.42026 1
H12 H 1 0.13817 0.81384 0.59712 1
H13 H 1 0.28923 0.75513 0.95058 1
H14 H 1 0.23466 0.29182 0.94624 1
H15 H 1 0.24508 0.30005 0.49350 1
H16 H 1 0.86064 0.69305 0.08658 1
H17 H 1 0.23796 0.79055 0.38370 1
H18 H 1 0.88923 0.15452 0.56015 1
H19 H 1 0.58954 0.50729 0.21318 1
H20 H 1 0.08249 0.43036 0.65997 1
H21 H 1 0.55908 0.02662 0.74589 1
H22 H 1 0.83681 0.18683 0.20958 1
H23 H 1 0.91805 0.46131 0.50807 1
H24 H 1 0.48162 0.03826 0.06343 1
Li1 Li 1 0.49481 0.07513 0.36509 1
Li2 Li 1 0.18347 0.88209 0.17595 1
B1 B 1 0.05127 0.49509 0.07165 1
B2 B 1 0.86654 0.17505 0.75621 1
C1 C 1 0.25451 0.74116 0.74164 1
C2 C 1 0.40384 0.66522 0.75677 1
C3 C 1 0.52130 0.80279 0.57786 1
C4 C 1 0.70107 0.16313 0.02087 1
C5 C 1 0.71430 0.91430 0.05761 1
C6 C 1 0.61681 0.88700 0.20885 1
C7 C 1 0.85549 0.54717 0.30776 1
C8 C 1 0.96577 0.04294 0.36081 1
C9 C 1 0.96143 0.93930 0.70423 1
C10 C 1 0.89174 0.64569 0.32670 1
C11 C 1 0.93994 0.19466 0.33274 1
C12 C 1 0.11618 0.92187 0.60464 1
C13 C 1 0.14632 0.70176 0.07763 1
C14 C 1 0.13767 0.22963 0.08496 1
C15 C 1 0.17625 0.17195 0.54779 1
C16 C 1 0.81595 0.56159 0.12943 1
C17 C 1 0.14806 0.66916 0.44934 1
C18 C 1 0.75589 0.11297 0.69094 1
C19 C 1 0.68163 0.46697 0.19318 1
C20 C 1 0.07237 0.49039 0.58675 1
C21 C 1 0.59071 0.04861 0.78554 1
C22 C 1 0.80426 0.29834 0.19377 1
C23 C 1 0.98495 0.50472 0.51006 1
C24 C 1 0.54503 0.05207 0.95266 1
N1 N 1 0.23192 0.62534 0.86191 1
N2 N 1 0.76960 0.09200 0.93643 1
N3 N 1 0.60922 0.04408 0.18482 1
N4 N 1 0.42667 0.85025 0.56906 1
N5 N 1 0.89399 0.45215 0.13068 1
N6 N 1 0.09281 0.67750 0.40138 1
N7 N 1 0.72558 0.11434 0.79939 1
N8 N 1 0.01970 0.58453 0.14655 1
N9 N 1 0.09046 0.06581 0.20441 1
N10 N 1 0.00076 0.10116 0.66634 1
N11 N 1 0.07502 0.74244 0.18174 1
N12 N 1 0.05141 0.31499 0.15523 1
N13 N 1 0.25092 0.06835 0.50683 1
N14 N 1 0.67478 0.30149 0.23366 1
N15 N 1 0.96664 0.38485 0.62612 1
N16 N 1 0.45871 0.01032 0.95007 1
#End of data
data_pcb
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
pcb/H-H 2.51/Li-N 2.07-2.08
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: pcb.cif. 
;
_cell_length_a                      15.5066
_cell_length_b                      15.4897
_cell_length_c                      15.4837
_cell_angle_alpha                   107.53
_cell_angle_beta                    116.96
_cell_angle_gamma                   104.17
_cell_volume                        2824.896
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.09100 0.03121 0.58571 1
H2 H 1 0.79135 0.90613 0.28121 1
H3 H 1 0.75256 0.89302 0.43717 1
H4 H 1 0.91148 0.49675 0.94125 1
H5 H 1 0.21064 0.49053 0.11372 1
H6 H 1 0.25010 0.68511 0.13883 1
H7 H 1 0.55447 0.96649 0.05551 1
H8 H 1 0.37782 0.09564 0.88472 1
H9 H 1 0.54690 0.10943 0.85927 1
H10 H 1 0.44673 0.50262 0.41190 1
H11 H 1 0.62341 0.50778 0.71737 1
H12 H 1 0.45426 0.31332 0.56165 1
H13 H 1 0.81260 0.92402 0.05616 1
H14 H 1 0.92464 0.17195 0.35369 1
H15 H 1 0.75802 0.17478 0.17815 1
H16 H 1 0.11440 0.79719 0.91565 1
H17 H 1 0.40508 0.98224 0.23328 1
H18 H 1 0.25790 0.84902 0.24539 1
H19 H 1 0.13546 0.07553 0.88711 1
H20 H 1 0.18225 0.82570 0.75059 1
H21 H 1 0.00428 0.82359 0.58158 1
H22 H 1 0.88100 0.19554 0.08227 1
H23 H 1 0.75000 0.17065 0.76528 1
H24 H 1 0.60413 0.01095 0.75222 1
H25 H 1 0.86807 0.75405 0.94182 1
H26 H 1 0.81828 0.56920 0.64385 1
H27 H 1 0.99715 0.57849 0.81908 1
H28 H 1 0.88808 0.80282 0.68246 1
H29 H 1 0.59774 0.83010 0.57830 1
H30 H 1 0.74548 0.99054 0.59420 1
H31 H 1 0.75405 0.91970 0.84377 1
H32 H 1 0.50258 0.65327 0.75126 1
H33 H 1 0.49656 0.82065 0.87821 1
H34 H 1 0.92635 0.07983 0.83318 1
H35 H 1 0.10363 0.34647 0.85063 1
H36 H 1 0.06253 0.17923 0.67660 1
H37 H 1 0.18730 0.24517 0.11081 1
H38 H 1 0.07680 0.43077 0.24896 1
H39 H 1 0.24433 0.42193 0.41760 1
H40 H 1 0.12049 0.20299 0.31468 1
H41 H 1 0.25081 0.01571 0.41829 1
H42 H 1 0.39647 0.14883 0.40460 1
H43 H 1 0.07641 0.90809 0.15421 1
H44 H 1 0.90043 0.74806 0.24455 1
H45 H 1 0.94166 0.61548 0.11820 1
H46 H 1 0.24753 0.09106 0.16513 1
H47 H 1 0.49734 0.25120 0.14876 1
H48 H 1 0.50319 0.38383 0.32216 1
Li1 Li 1 0.00441 0.99461 0.31458 1
Li2 Li 1 0.68001 0.68727 0.68283 1
Li3 Li 1 0.32181 0.00444 0.00750 1
Li4 Li 1 0.99716 0.31196 0.99089 1
B1 B 1 0.95053 0.98469 0.65863 1
B2 B 1 0.05242 0.70963 0.03467 1
B3 B 1 0.67470 0.01501 0.96288 1
B4 B 1 0.32638 0.28964 0.33965 1
C1 C 1 0.00419 0.99659 0.52284 1
C2 C 1 0.84876 0.93079 0.36823 1
C3 C 1 0.82820 0.92455 0.44492 1
C4 C 1 0.99825 0.52028 0.99277 1
C5 C 1 0.15340 0.52038 0.08132 1
C6 C 1 0.17432 0.61760 0.09545 1
C7 C 1 0.52703 0.00235 0.00440 1
C8 C 1 0.43964 0.07024 0.91667 1
C9 C 1 0.52259 0.07685 0.90254 1
C10 C 1 0.47424 0.47875 0.47504 1
C11 C 1 0.56165 0.47816 0.63017 1
C12 C 1 0.47868 0.38103 0.55363 1
C13 C 1 0.82245 0.99267 0.11473 1
C14 C 1 0.87769 0.12089 0.26532 1
C15 C 1 0.79507 0.12340 0.17937 1
C16 C 1 0.17512 0.82973 0.00376 1
C17 C 1 0.32280 0.92299 0.16792 1
C18 C 1 0.25096 0.85730 0.17540 1
C19 C 1 0.12468 0.00652 0.82814 1
C20 C 1 0.14562 0.87733 0.75486 1
C21 C 1 0.05734 0.87519 0.66997 1
C22 C 1 0.82579 0.16869 0.99420 1
C23 C 1 0.75565 0.15321 0.83035 1
C24 C 1 0.68225 0.07372 0.82242 1
C25 C 1 0.87807 0.70547 0.88308 1
C26 C 1 0.85570 0.61053 0.73229 1
C27 C 1 0.94440 0.61404 0.81812 1
C28 C 1 0.82745 0.83039 0.65487 1
C29 C 1 0.67998 0.84708 0.60122 1
C30 C 1 0.75207 0.92693 0.60826 1
C31 C 1 0.68557 0.86853 0.83626 1
C32 C 1 0.55536 0.73390 0.79034 1
C33 C 1 0.55147 0.81620 0.85343 1
C34 C 1 0.97075 0.13105 0.81642 1
C35 C 1 0.06130 0.26581 0.82222 1
C36 C 1 0.04167 0.18358 0.73567 1
C37 C 1 0.17807 0.29398 0.17017 1
C38 C 1 0.12364 0.38941 0.24429 1
C39 C 1 0.20669 0.38609 0.32902 1
C40 C 1 0.17548 0.16981 0.34239 1
C41 C 1 0.24526 0.07546 0.39583 1
C42 C 1 0.31859 0.14108 0.38978 1
C43 C 1 0.03245 0.84693 0.16136 1
C44 C 1 0.94253 0.76206 0.20603 1
C45 C 1 0.96212 0.69527 0.14323 1
C46 C 1 0.31555 0.15228 0.18209 1
C47 C 1 0.44482 0.23716 0.17685 1
C48 C 1 0.44866 0.30399 0.26310 1
N1 N 1 0.95960 0.97625 0.41762 1
N2 N 1 0.92820 0.96700 0.54445 1
N3 N 1 0.04251 0.45943 0.01674 1
N4 N 1 0.07450 0.61758 0.03864 1
N5 N 1 0.44267 0.02321 0.98077 1
N6 N 1 0.57875 0.03307 0.95883 1
N7 N 1 0.55866 0.53937 0.58034 1
N8 N 1 0.42253 0.38138 0.45379 1
N9 N 1 0.89448 0.03851 0.22415 1
N10 N 1 0.75952 0.04062 0.08268 1
N11 N 1 0.27458 0.90560 0.05996 1
N12 N 1 0.15609 0.79726 0.06958 1
N13 N 1 0.18762 0.96011 0.85407 1
N14 N 1 0.04430 0.95855 0.71736 1
N15 N 1 0.84588 0.21241 0.93839 1
N16 N 1 0.72752 0.08404 0.92808 1
N17 N 1 0.81434 0.66811 0.77367 1
N18 N 1 0.95833 0.67491 0.91494 1
N19 N 1 0.72794 0.78689 0.63105 1
N20 N 1 0.84681 0.91583 0.64253 1
N21 N 1 0.63981 0.76727 0.77974 1
N22 N 1 0.63501 0.90276 0.88247 1
N23 N 1 0.01643 0.23234 0.87268 1
N24 N 1 0.98295 0.09695 0.73173 1
N25 N 1 0.10612 0.33144 0.14468 1
N26 N 1 0.24170 0.32490 0.28104 1
N27 N 1 0.15530 0.09360 0.36557 1
N28 N 1 0.27356 0.20186 0.35563 1
N29 N 1 0.98701 0.85736 0.21724 1
N30 N 1 0.02044 0.75014 0.11504 1
N31 N 1 0.36099 0.14185 0.12621 1
N32 N 1 0.36574 0.24912 0.26667 1
#End of data

data_pcl
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
pcl/Li-N 2.06-2.15/H-H 2.38
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: pcl.cif. 
;
_cell_length_a                      18.3899
_cell_length_b                      17.7568
_cell_length_c                      16.4628
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        5375.857
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.07091 0.18596 0.96121 1
H2 H 1 0.94081 0.16874 0.04620 1
H3 H 1 0.99138 0.40098 0.02378 1
H4 H 1 0.93233 0.82813 0.44740 1
H5 H 1 0.06620 0.81252 0.52542 1
H6 H 1 0.97975 0.59636 0.48129 1
H7 H 1 0.01487 0.24596 0.66286 1
H8 H 1 0.87619 0.26558 0.59796 1
H9 H 1 0.02592 0.39006 0.45750 1
H10 H 1 0.88871 0.75077 0.91619 1
H11 H 1 0.02533 0.76664 0.84489 1
H12 H 1 0.03333 0.59676 0.02603 1
H13 H 1 0.74335 0.35819 0.01752 1
H14 H 1 0.73461 0.51417 0.00042 1
H15 H 1 0.92554 0.46121 0.13014 1
H16 H 1 0.24891 0.54946 0.48113 1
H17 H 1 0.24983 0.39197 0.48360 1
H18 H 1 0.06543 0.47333 0.61111 1
H19 H 1 0.73204 0.63842 0.47943 1
H20 H 1 0.72062 0.48212 0.49153 1
H21 H 1 0.91592 0.53544 0.37031 1
H22 H 1 0.26092 0.44887 0.00242 1
H23 H 1 0.26054 0.60626 0.99952 1
H24 H 1 0.07290 0.52319 0.87949 1
H25 H 1 0.09847 0.74434 0.06554 1
H26 H 1 0.80125 0.19562 0.20017 1
H27 H 1 0.80761 0.25492 0.95036 1
H28 H 1 0.79188 0.39777 0.61197 1
H29 H 1 0.28894 0.66972 0.63188 1
H30 H 1 0.21818 0.76112 0.40888 1
H31 H 1 0.80777 0.61318 0.87563 1
H32 H 1 0.71311 0.70938 0.79290 1
H33 H 1 0.22378 0.23147 0.07346 1
H34 H 1 0.08629 0.24221 0.42971 1
H35 H 1 0.20114 0.16072 0.36105 1
H36 H 1 0.80103 0.75011 0.54649 1
H37 H 1 0.96790 0.21253 0.20260 1
H38 H 1 0.94161 0.23204 0.36887 1
H39 H 1 0.81789 0.39120 0.23835 1
H40 H 1 0.16373 0.80164 0.66324 1
H41 H 1 0.16707 0.81267 0.83233 1
H42 H 1 0.13736 0.58463 0.76289 1
H43 H 1 0.97841 0.76580 0.30512 1
H44 H 1 0.96609 0.74252 0.13733 1
H45 H 1 0.80601 0.61332 0.25665 1
H46 H 1 0.16059 0.19623 0.82495 1
H47 H 1 0.15675 0.18488 0.65574 1
H48 H 1 0.13986 0.41405 0.72574 1
H49 H 1 0.69394 0.88661 0.75668 1
H50 H 1 0.53383 0.75744 0.63736 1
H51 H 1 0.52149 0.73419 0.80515 1
H52 H 1 0.36016 0.08600 0.22576 1
H53 H 1 0.34325 0.31516 0.15575 1
H54 H 1 0.33944 0.30382 0.32496 1
H55 H 1 0.68212 0.10876 0.73838 1
H56 H 1 0.55846 0.26793 0.86895 1
H57 H 1 0.53215 0.28748 0.70270 1
H58 H 1 0.36255 0.91540 0.26289 1
H59 H 1 0.33292 0.68736 0.33231 1
H60 H 1 0.33622 0.69840 0.16322 1
H61 H 1 0.27624 0.26860 0.57343 1
H62 H 1 0.78678 0.79057 0.29290 1
H63 H 1 0.69215 0.88677 0.37565 1
H64 H 1 0.69891 0.74983 0.04650 1
H65 H 1 0.29889 0.33931 0.86107 1
H66 H 1 0.41373 0.25780 0.92972 1
H67 H 1 0.69234 0.24504 0.45039 1
H68 H 1 0.69883 0.30434 0.70019 1
H69 H 1 0.40143 0.75580 0.56562 1
H70 H 1 0.28178 0.73884 0.90894 1
H71 H 1 0.21094 0.83043 0.13182 1
H72 H 1 0.70822 0.10214 0.11199 1
H73 H 1 0.58403 0.96452 0.87036 1
H74 H 1 0.77937 0.01779 0.99156 1
H75 H 1 0.76792 0.86149 0.97944 1
H76 H 1 0.42709 0.97682 0.37947 1
H77 H 1 0.23943 0.89380 0.49950 1
H78 H 1 0.23907 0.05119 0.50239 1
H79 H 1 0.57445 0.03877 0.63021 1
H80 H 1 0.76535 0.98578 0.50044 1
H81 H 1 0.75663 0.14176 0.51753 1
H82 H 1 0.43456 0.02670 0.11113 1
H83 H 1 0.25017 0.10808 0.98362 1
H84 H 1 0.25109 0.95058 0.98112 1
H85 H 1 0.47407 0.10996 0.95753 1
H86 H 1 0.62385 0.23432 0.09803 1
H87 H 1 0.48516 0.25403 0.16289 1
H88 H 1 0.46665 0.90327 0.52598 1
H89 H 1 0.47460 0.73329 0.34496 1
H90 H 1 0.61120 0.74913 0.41629 1
H91 H 1 0.50866 0.09901 0.52378 1
H92 H 1 0.55916 0.33125 0.54634 1
H93 H 1 0.42907 0.31403 0.46131 1
H94 H 1 0.52020 0.90363 0.98129 1
H95 H 1 0.43371 0.68751 0.02549 1
H96 H 1 0.56757 0.67184 0.94748 1
Li1 Li 1 0.14310 0.34677 0.92272 1
Li2 Li 1 0.35693 0.15326 0.42273 1
Li3 Li 1 0.36313 0.84924 0.06672 1
Li4 Li 1 0.65625 0.13149 0.93807 1
Li5 Li 1 0.85310 0.62860 0.05791 1
Li6 Li 1 0.13680 0.65081 0.56669 1
Li7 Li 1 0.84377 0.36846 0.43801 1
Li8 Li 1 0.64685 0.87138 0.55797 1
B1 B 1 0.37168 0.17336 0.07485 1
B2 B 1 0.13612 0.67070 0.91429 1
B3 B 1 0.12834 0.32668 0.57483 1
B4 B 1 0.87587 0.30774 0.10059 1
B5 B 1 0.62413 0.19224 0.60063 1
B6 B 1 0.36384 0.82933 0.41429 1
B7 B 1 0.63337 0.81167 0.89913 1
B8 B 1 0.86655 0.68828 0.39910 1
C1 C 1 0.03570 0.22885 0.98779 1
C2 C 1 0.97124 0.21921 0.03015 1
C3 C 1 0.99670 0.33999 0.01890 1
C4 C 1 0.96239 0.77801 0.46549 1
C5 C 1 0.02872 0.76911 0.50425 1
C6 C 1 0.98626 0.65739 0.48242 1
C7 C 1 0.99662 0.27801 0.61025 1
C8 C 1 0.92807 0.28819 0.57712 1
C9 C 1 0.00273 0.35334 0.50391 1
C10 C 1 0.93919 0.72106 0.92962 1
C11 C 1 0.00667 0.72970 0.89344 1
C12 C 1 0.01137 0.64090 0.98695 1
C13 C 1 0.78037 0.40245 0.03704 1
C14 C 1 0.77646 0.48004 0.02954 1
C15 C 1 0.87534 0.45543 0.09533 1
C16 C 1 0.21094 0.51025 0.50945 1
C17 C 1 0.21221 0.43224 0.51050 1
C18 C 1 0.11637 0.47399 0.57705 1
C19 C 1 0.76885 0.59401 0.45976 1
C20 C 1 0.76376 0.51632 0.46499 1
C21 C 1 0.86469 0.54103 0.40326 1
C22 C 1 0.22169 0.48766 0.97555 1
C23 C 1 0.22233 0.56567 0.97438 1
C24 C 1 0.12478 0.52307 0.91170 1
C25 C 1 0.15299 0.75609 0.04312 1
C26 C 1 0.20910 0.79880 0.07507 1
C27 C 1 0.79176 0.22580 0.00599 1
C28 C 1 0.75744 0.35173 0.59094 1
C29 C 1 0.71183 0.30546 0.63566 1
C30 C 1 0.25187 0.74745 0.46146 1
C31 C 1 0.77095 0.65590 0.89962 1
C32 C 1 0.72470 0.70364 0.85750 1
C33 C 1 0.71709 0.72527 0.98921 1
C34 C 1 0.14261 0.23562 0.44888 1
C35 C 1 0.19998 0.19540 0.41574 1
C36 C 1 0.24105 0.24989 0.52397 1
C37 C 1 0.93311 0.25224 0.23474 1
C38 C 1 0.91946 0.26248 0.31687 1
C39 C 1 0.85511 0.34519 0.25247 1
C40 C 1 0.15759 0.75759 0.70896 1
C41 C 1 0.16001 0.76401 0.79283 1
C42 C 1 0.14424 0.64543 0.75757 1
C43 C 1 0.94063 0.73157 0.26995 1
C44 C 1 0.93382 0.71951 0.18711 1
C45 C 1 0.85095 0.65212 0.24564 1
C46 C 1 0.15479 0.24041 0.77935 1
C47 C 1 0.15356 0.23376 0.69549 1
C48 C 1 0.14431 0.35300 0.73100 1
C49 C 1 0.64899 0.84782 0.74567 1
C50 C 1 0.56610 0.78046 0.68713 1
C51 C 1 0.55929 0.76840 0.76999 1
C52 C 1 0.35572 0.14705 0.23102 1
C53 C 1 0.34646 0.26629 0.19551 1
C54 C 1 0.34525 0.25964 0.27937 1
C55 C 1 0.64491 0.15478 0.75251 1
C56 C 1 0.58060 0.23749 0.81694 1
C57 C 1 0.56694 0.24774 0.73483 1
C58 C 1 0.35569 0.85461 0.25757 1
C59 C 1 0.33995 0.73602 0.29281 1
C60 C 1 0.34236 0.74245 0.20894 1
C61 C 1 0.78285 0.77467 0.48920 1
C62 C 1 0.77520 0.79630 0.35750 1
C63 C 1 0.72897 0.84405 0.39963 1
C64 C 1 0.25897 0.25017 0.02399 1
C65 C 1 0.30004 0.30463 0.91575 1
C66 C 1 0.35741 0.26441 0.94889 1
C67 C 1 0.70823 0.27416 0.50600 1
C68 C 1 0.29079 0.70130 0.57511 1
C69 C 1 0.34691 0.74402 0.54316 1
C70 C 1 0.24808 0.75257 0.96148 1
C71 C 1 0.78822 0.19450 0.13565 1
C72 C 1 0.74261 0.14820 0.09094 1
C73 C 1 0.63527 0.95892 0.90330 1
C74 C 1 0.73621 0.98361 0.96502 1
C75 C 1 0.73110 0.90591 0.95978 1
C76 C 1 0.37521 0.97695 0.41168 1
C77 C 1 0.27765 0.93438 0.47435 1
C78 C 1 0.27829 0.01239 0.47553 1
C79 C 1 0.62465 0.04455 0.59539 1
C80 C 1 0.72351 0.01992 0.52956 1
C81 C 1 0.71961 0.09751 0.53707 1
C82 C 1 0.38363 0.02605 0.07706 1
C83 C 1 0.28779 0.06781 0.01051 1
C84 C 1 0.28906 0.98980 0.00945 1
C85 C 1 0.49727 0.14666 0.00394 1
C86 C 1 0.57195 0.21175 0.07718 1
C87 C 1 0.50341 0.22196 0.11029 1
C88 C 1 0.48860 0.85911 0.48694 1
C89 C 1 0.49327 0.77024 0.39349 1
C90 C 1 0.56074 0.77887 0.42969 1
C91 C 1 0.50332 0.16000 0.51893 1
C92 C 1 0.52874 0.28079 0.53025 1
C93 C 1 0.46429 0.27115 0.48788 1
C94 C 1 0.51367 0.84260 0.98244 1
C95 C 1 0.47119 0.73089 0.00429 1
C96 C 1 0.53752 0.72198 0.96553 1
N1 N 1 0.05151 0.30492 0.98084 1
N2 N 1 0.94602 0.29086 0.04991 1
N3 N 1 0.93504 0.70600 0.45168 1
N4 N 1 0.04347 0.69319 0.51484 1
N5 N 1 0.04453 0.32017 0.56326 1
N6 N 1 0.93208 0.33576 0.51036 1
N7 N 1 0.94224 0.66489 0.98815 1
N8 N 1 0.05291 0.67785 0.92998 1
N9 N 1 0.84421 0.38652 0.07903 1
N10 N 1 0.83633 0.51316 0.06618 1
N11 N 1 0.15059 0.53627 0.55149 1
N12 N 1 0.15136 0.40893 0.55392 1
N13 N 1 0.83393 0.60992 0.42023 1
N14 N 1 0.82429 0.48321 0.42959 1
N15 N 1 0.16021 0.46111 0.93599 1
N16 N 1 0.15993 0.58846 0.93348 1
N17 N 1 0.17790 0.72663 0.96996 1
N18 N 1 0.81967 0.24454 0.08091 1
N19 N 1 0.75557 0.33138 0.50951 1
N20 N 1 0.23104 0.70371 0.52363 1
N21 N 1 0.76643 0.67002 0.98248 1
N22 N 1 0.23824 0.29539 0.96311 1
N23 N 1 0.16903 0.27053 0.51847 1
N24 N 1 0.80972 0.75166 0.41518 1
N25 N 1 0.89193 0.30575 0.19342 1
N26 N 1 0.87063 0.32126 0.32763 1
N27 N 1 0.14750 0.68291 0.68713 1
N28 N 1 0.15187 0.69155 0.82406 1
N29 N 1 0.88752 0.68795 0.30749 1
N30 N 1 0.87734 0.66956 0.17214 1
N31 N 1 0.14885 0.31551 0.80139 1
N32 N 1 0.14721 0.30642 0.66443 1
N33 N 1 0.62260 0.83039 0.67217 1
N34 N 1 0.61240 0.81201 0.80752 1
N35 N 1 0.35280 0.19362 0.16446 1
N36 N 1 0.35119 0.18453 0.30141 1
N37 N 1 0.62941 0.17870 0.82768 1
N38 N 1 0.60809 0.19425 0.69348 1
N39 N 1 0.34809 0.80847 0.32406 1
N40 N 1 0.35243 0.81714 0.18712 1
N41 N 1 0.26178 0.20466 0.46310 1
N42 N 1 0.73351 0.82992 0.48249 1
N43 N 1 0.69019 0.74828 0.91521 1
N44 N 1 0.33098 0.22951 0.01849 1
N45 N 1 0.68034 0.25544 0.58093 1
N46 N 1 0.32204 0.77341 0.46997 1
N47 N 1 0.26887 0.79635 0.02363 1
N48 N 1 0.74445 0.16857 0.00952 1
N49 N 1 0.67568 0.01673 0.92963 1
N50 N 1 0.66602 0.89002 0.92026 1
N51 N 1 0.34004 0.91157 0.43345 1
N52 N 1 0.33979 0.03892 0.43598 1
N53 N 1 0.66364 0.98681 0.56623 1
N54 N 1 0.65578 0.11346 0.57907 1
N55 N 1 0.34864 0.09111 0.05394 1
N56 N 1 0.34941 0.96377 0.05150 1
N57 N 1 0.56793 0.16419 0.01042 1
N58 N 1 0.45547 0.17985 0.06329 1
N59 N 1 0.44704 0.82215 0.43000 1
N60 N 1 0.55771 0.83507 0.48818 1
N61 N 1 0.55398 0.20913 0.54998 1
N62 N 1 0.44850 0.19508 0.48089 1
N63 N 1 0.45646 0.80682 0.01486 1
N64 N 1 0.56489 0.79398 0.95171 1
#End of data

data_qtz
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
qtz/H-H 1.84/Li-N 2.12-2.15
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_qtz.cif. 
;
_cell_length_a                      8.98
_cell_length_b                      8.98
_cell_length_c                      22.7702
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        1590.194
_cell_formula_units_Z               3
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.08910 0.82007 0.21782 1
H2 H 1 0.75239 0.92772 0.54636 1
H3 H 1 0.17747 0.25936 0.88221 1
H4 H 1 0.82241 0.74074 0.88220 1
H5 H 1 0.24760 0.07232 0.54635 1
H6 H 1 0.91089 0.17996 0.21781 1
H7 H 1 0.82003 0.08905 0.44882 1
H8 H 1 0.92769 0.75240 0.12028 1
H9 H 1 0.07226 0.24760 0.12027 1
H10 H 1 0.17994 0.91093 0.44882 1
H11 H 1 0.25920 0.17754 0.78443 1
H12 H 1 0.18150 0.14954 0.37223 1
H13 H 1 0.97692 0.81861 0.70764 1
H14 H 1 0.83088 0.01494 0.04304 1
H15 H 1 0.16904 0.98509 0.04304 1
H16 H 1 0.02295 0.18144 0.70765 1
H17 H 1 0.81848 0.85043 0.37224 1
H18 H 1 0.14950 0.18148 0.29440 1
H19 H 1 0.81847 0.97695 0.95898 1
H20 H 1 0.18145 0.02319 0.95899 1
H21 H 1 0.85049 0.81853 0.29440 1
H22 H 1 0.01490 0.83096 0.62358 1
H23 H 1 0.68135 0.34793 0.44146 1
H24 H 1 0.65868 0.31513 0.77185 1
H25 H 1 0.66234 0.35162 0.10206 1
H26 H 1 0.33766 0.64847 0.10205 1
H27 H 1 0.34115 0.68495 0.77185 1
H28 H 1 0.31863 0.65206 0.44146 1
H29 H 1 0.34795 0.68134 0.22516 1
H30 H 1 0.31502 0.65887 0.89471 1
H31 H 1 0.68488 0.34129 0.89472 1
H32 H 1 0.65206 0.31868 0.22516 1
H33 H 1 0.35152 0.66232 0.56457 1
H34 H 1 0.64839 0.33766 0.56457 1
H35 H 1 0.98507 0.16911 0.62358 1
H36 H 1 0.74072 0.82257 0.78441 1
Li1 Li 1 0.50000 0.00000 0.99929 1
Li2 Li 1 0.50000 0.50000 0.33333 1
Li3 Li 1 0.00000 0.50000 0.66732 1
B1 B 1 0.00000 0.50000 0.16595 1
B2 B 1 0.50000 0.00000 0.50068 1
B3 B 1 0.50000 0.50000 0.83333 1
C1 C 1 0.96311 0.71567 0.23062 1
C2 C 1 0.76496 0.04835 0.56149 1
C3 C 1 0.28344 0.24163 0.89613 1
C4 C 1 0.71645 0.75850 0.89613 1
C5 C 1 0.23501 0.95168 0.56149 1
C6 C 1 0.03689 0.28437 0.23061 1
C7 C 1 0.71562 0.96307 0.43602 1
C8 C 1 0.04832 0.76499 0.10514 1
C9 C 1 0.95163 0.23503 0.10514 1
C10 C 1 0.28435 0.03691 0.43602 1
C11 C 1 0.24146 0.28350 0.77049 1
C12 C 1 0.54476 0.26353 0.43248 1
C13 C 1 0.71579 0.45312 0.76440 1
C14 C 1 0.73886 0.28917 0.09601 1
C15 C 1 0.26112 0.71090 0.09601 1
C16 C 1 0.28405 0.54697 0.76440 1
C17 C 1 0.45520 0.73646 0.43249 1
C18 C 1 0.26353 0.54476 0.23414 1
C19 C 1 0.45299 0.71595 0.90218 1
C20 C 1 0.54690 0.28422 0.90219 1
C21 C 1 0.73647 0.45527 0.23414 1
C22 C 1 0.28909 0.73888 0.57062 1
C23 C 1 0.28862 0.15631 0.39684 1
C24 C 1 0.87347 0.71154 0.73142 1
C25 C 1 0.83131 0.12202 0.06570 1
C26 C 1 0.16863 0.87802 0.06570 1
C27 C 1 0.12641 0.28853 0.73143 1
C28 C 1 0.71135 0.84367 0.39685 1
C29 C 1 0.15628 0.28863 0.26978 1
C30 C 1 0.71140 0.87353 0.93519 1
C31 C 1 0.28851 0.12661 0.93520 1
C32 C 1 0.84371 0.71140 0.26978 1
C33 C 1 0.12197 0.83136 0.60093 1
C34 C 1 0.87800 0.16868 0.60093 1
C35 C 1 0.71083 0.26113 0.57062 1
C36 C 1 0.75843 0.71660 0.77048 1
N1 N 1 0.89263 0.55155 0.20654 1
N2 N 1 0.65937 0.10951 0.54085 1
N3 N 1 0.44910 0.34088 0.87375 1
N4 N 1 0.55079 0.65925 0.87374 1
N5 N 1 0.34058 0.89049 0.54085 1
N6 N 1 0.10737 0.44848 0.20654 1
N7 N 1 0.55150 0.89261 0.46009 1
N8 N 1 0.10950 0.65942 0.12577 1
N9 N 1 0.89048 0.34062 0.12577 1
N10 N 1 0.44846 0.10737 0.46008 1
N11 N 1 0.34074 0.44918 0.79285 1
N12 N 1 0.45263 0.29831 0.39410 1
N13 N 1 0.84571 0.54559 0.72710 1
N14 N 1 0.69824 0.15695 0.05946 1
N15 N 1 0.30171 0.84312 0.05946 1
N16 N 1 0.15413 0.45447 0.72710 1
N17 N 1 0.54736 0.70166 0.39411 1
N18 N 1 0.29831 0.45261 0.27252 1
N19 N 1 0.54546 0.84582 0.93950 1
N20 N 1 0.45445 0.15433 0.93951 1
N21 N 1 0.70169 0.54741 0.27252 1
N22 N 1 0.15686 0.69829 0.60716 1
N23 N 1 0.84307 0.30174 0.60716 1
N24 N 1 0.65913 0.55092 0.79285 1
#End of data

data_rho
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
RHO/H-H 2.50/Li-N 2.05-2.08/P432
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_rho.cif. 
;
_cell_length_a                      27.2025
_cell_length_b                      27.2025
_cell_length_c                      27.2025
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        20129.2
_cell_formula_units_Z               24
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.00108 0.27722 0.43440 1
H2 H 1 0.56560 0.00108 0.72278 1
H3 H 1 0.00108 0.72278 0.56560 1
H4 H 1 0.43440 0.99892 0.72278 1
H5 H 1 0.99892 0.72278 0.43440 1
H6 H 1 0.43440 0.00108 0.27722 1
H7 H 1 0.99892 0.27722 0.56560 1
H8 H 1 0.56559 0.99892 0.27722 1
H9 H 1 0.27722 0.43440 0.00108 1
H10 H 1 0.72278 0.56560 0.00108 1
H11 H 1 0.72278 0.43440 0.99892 1
H12 H 1 0.27722 0.56560 0.99892 1
H13 H 1 0.72278 0.99892 0.56559 1
H14 H 1 0.99892 0.43440 0.27722 1
H15 H 1 0.27722 0.99892 0.43440 1
H16 H 1 0.00108 0.56559 0.27722 1
H17 H 1 0.27722 0.00108 0.56559 1
H18 H 1 0.99892 0.56560 0.72278 1
H19 H 1 0.72278 0.00108 0.43440 1
H20 H 1 0.00108 0.43440 0.72278 1
H21 H 1 0.56560 0.72278 0.99892 1
H22 H 1 0.43440 0.27722 0.99892 1
H23 H 1 0.56560 0.27722 0.00108 1
H24 H 1 0.96158 0.19864 0.30649 1
H25 H 1 0.69351 0.96158 0.80136 1
H26 H 1 0.96158 0.80136 0.69351 1
H27 H 1 0.30649 0.03842 0.80136 1
H28 H 1 0.03842 0.80136 0.30649 1
H29 H 1 0.30649 0.96158 0.19864 1
H30 H 1 0.03842 0.19864 0.69351 1
H31 H 1 0.69351 0.03842 0.19864 1
H32 H 1 0.19864 0.30649 0.96158 1
H33 H 1 0.80136 0.69351 0.96158 1
H34 H 1 0.80136 0.30649 0.03842 1
H35 H 1 0.19864 0.69351 0.03842 1
H36 H 1 0.80136 0.03842 0.69351 1
H37 H 1 0.03842 0.30649 0.19864 1
H38 H 1 0.19864 0.03842 0.30649 1
H39 H 1 0.96158 0.69351 0.19864 1
H40 H 1 0.19864 0.96158 0.69351 1
H41 H 1 0.03842 0.69351 0.80136 1
H42 H 1 0.80136 0.96158 0.30649 1
H43 H 1 0.96157 0.30649 0.80135 1
H44 H 1 0.69351 0.80136 0.03842 1
H45 H 1 0.30649 0.19864 0.03842 1
H46 H 1 0.69351 0.19864 0.96158 1
H47 H 1 0.91762 0.35569 0.46085 1
H48 H 1 0.53915 0.91762 0.64431 1
H49 H 1 0.91762 0.64431 0.53914 1
H50 H 1 0.46085 0.08238 0.64431 1
H51 H 1 0.08238 0.64431 0.46086 1
H52 H 1 0.46086 0.91762 0.35569 1
H53 H 1 0.08238 0.35569 0.53915 1
H54 H 1 0.53915 0.08238 0.35569 1
H55 H 1 0.35569 0.46085 0.91762 1
H56 H 1 0.64431 0.53915 0.91762 1
H57 H 1 0.64431 0.46085 0.08238 1
H58 H 1 0.35569 0.53915 0.08238 1
H59 H 1 0.64431 0.08238 0.53915 1
H60 H 1 0.08238 0.46085 0.35569 1
H61 H 1 0.35569 0.08238 0.46085 1
H62 H 1 0.91762 0.53914 0.35569 1
H63 H 1 0.35569 0.91762 0.53915 1
H64 H 1 0.08238 0.53915 0.64431 1
H65 H 1 0.64431 0.91762 0.46085 1
H66 H 1 0.91762 0.46085 0.64431 1
H67 H 1 0.53915 0.64431 0.08238 1
H68 H 1 0.46085 0.35569 0.08238 1
H69 H 1 0.53915 0.35569 0.91762 1
H70 H 1 0.91703 0.14414 0.42488 1
H71 H 1 0.57512 0.91703 0.85586 1
H72 H 1 0.91703 0.85586 0.57512 1
H73 H 1 0.42488 0.08297 0.85586 1
H74 H 1 0.08297 0.85586 0.42488 1
H75 H 1 0.42488 0.91703 0.14414 1
H76 H 1 0.08297 0.14414 0.57512 1
H77 H 1 0.57512 0.08297 0.14414 1
H78 H 1 0.14414 0.42488 0.91703 1
H79 H 1 0.85586 0.57512 0.91703 1
H80 H 1 0.85586 0.42488 0.08297 1
H81 H 1 0.14414 0.57512 0.08297 1
H82 H 1 0.85586 0.08297 0.57512 1
H83 H 1 0.08297 0.42488 0.14414 1
H84 H 1 0.14414 0.08297 0.42488 1
H85 H 1 0.91703 0.57512 0.14414 1
H86 H 1 0.14414 0.91703 0.57512 1
H87 H 1 0.08297 0.57512 0.85586 1
H88 H 1 0.85586 0.91703 0.42487 1
H89 H 1 0.91703 0.42488 0.85586 1
H90 H 1 0.57512 0.85586 0.08297 1
H91 H 1 0.42488 0.14414 0.08297 1
H92 H 1 0.57512 0.14414 0.91703 1
H93 H 1 0.79305 0.33262 0.37309 1
H94 H 1 0.62691 0.79305 0.66738 1
H95 H 1 0.79305 0.66738 0.62691 1
H96 H 1 0.37309 0.20695 0.66738 1
H97 H 1 0.20695 0.66738 0.37310 1
H98 H 1 0.37309 0.79305 0.33262 1
H99 H 1 0.20695 0.33262 0.62691 1
H100 H 1 0.62691 0.20695 0.33262 1
H101 H 1 0.33262 0.37309 0.79305 1
H102 H 1 0.66738 0.62691 0.79305 1
H103 H 1 0.66738 0.37309 0.20695 1
H104 H 1 0.33262 0.62691 0.20695 1
H105 H 1 0.66738 0.20695 0.62691 1
H106 H 1 0.20695 0.37309 0.33262 1
H107 H 1 0.33262 0.20695 0.37310 1
H108 H 1 0.79305 0.62691 0.33262 1
H109 H 1 0.33263 0.79305 0.62691 1
H110 H 1 0.20695 0.62691 0.66738 1
H111 H 1 0.66738 0.79305 0.37310 1
H112 H 1 0.79305 0.37309 0.66738 1
H113 H 1 0.62691 0.66738 0.20695 1
H114 H 1 0.37309 0.33262 0.20695 1
H115 H 1 0.62691 0.33262 0.79305 1
H116 H 1 0.19375 0.59394 0.30261 1
H117 H 1 0.69739 0.19375 0.40606 1
H118 H 1 0.19375 0.40606 0.69739 1
H119 H 1 0.30261 0.80625 0.40606 1
H120 H 1 0.80625 0.40606 0.30261 1
H121 H 1 0.30261 0.19376 0.59394 1
H122 H 1 0.80625 0.59394 0.69739 1
H123 H 1 0.69739 0.80624 0.59394 1
H124 H 1 0.59394 0.30261 0.19375 1
H125 H 1 0.40606 0.69739 0.19375 1
H126 H 1 0.40606 0.30261 0.80625 1
H127 H 1 0.59394 0.69739 0.80625 1
H128 H 1 0.40606 0.80625 0.69739 1
H129 H 1 0.80624 0.30261 0.59394 1
H130 H 1 0.59394 0.80625 0.30261 1
H131 H 1 0.19376 0.69739 0.59394 1
H132 H 1 0.59394 0.19375 0.69739 1
H133 H 1 0.80625 0.69739 0.40606 1
H134 H 1 0.40606 0.19375 0.30261 1
H135 H 1 0.19376 0.30261 0.40606 1
H136 H 1 0.69739 0.40606 0.80625 1
H137 H 1 0.30261 0.59394 0.80625 1
H138 H 1 0.69739 0.59394 0.19375 1
H139 H 1 0.07097 0.69021 0.30196 1
H140 H 1 0.69804 0.07097 0.30978 1
H141 H 1 0.07097 0.30978 0.69804 1
H142 H 1 0.30196 0.92903 0.30978 1
H143 H 1 0.92903 0.30978 0.30195 1
H144 H 1 0.30196 0.07097 0.69021 1
H145 H 1 0.92903 0.69021 0.69804 1
H146 H 1 0.69804 0.92903 0.69021 1
H147 H 1 0.69022 0.30196 0.07097 1
H148 H 1 0.30978 0.69804 0.07097 1
H149 H 1 0.30978 0.30196 0.92903 1
H150 H 1 0.69022 0.69805 0.92903 1
H151 H 1 0.30978 0.92903 0.69804 1
H152 H 1 0.92903 0.30196 0.69021 1
H153 H 1 0.69022 0.92903 0.30196 1
H154 H 1 0.07097 0.69804 0.69022 1
H155 H 1 0.69022 0.07097 0.69804 1
H156 H 1 0.92903 0.69804 0.30978 1
H157 H 1 0.30978 0.07097 0.30196 1
H158 H 1 0.07097 0.30196 0.30979 1
H159 H 1 0.69805 0.30978 0.92903 1
H160 H 1 0.30196 0.69022 0.92903 1
H161 H 1 0.69804 0.69022 0.07097 1
H162 H 1 0.07023 0.57039 0.15450 1
H163 H 1 0.84550 0.07023 0.42961 1
H164 H 1 0.07023 0.42961 0.84550 1
H165 H 1 0.15450 0.92977 0.42961 1
H166 H 1 0.92977 0.42961 0.15450 1
H167 H 1 0.15450 0.07023 0.57039 1
H168 H 1 0.92977 0.57039 0.84550 1
H169 H 1 0.84550 0.92977 0.57039 1
H170 H 1 0.57039 0.15450 0.07023 1
H171 H 1 0.42961 0.84550 0.07023 1
H172 H 1 0.42961 0.15450 0.92977 1
H173 H 1 0.57039 0.84550 0.92977 1
H174 H 1 0.42961 0.92977 0.84550 1
H175 H 1 0.92977 0.15450 0.57039 1
H176 H 1 0.57039 0.92977 0.15450 1
H177 H 1 0.07023 0.84550 0.57039 1
H178 H 1 0.57039 0.07023 0.84550 1
H179 H 1 0.92977 0.84550 0.42961 1
H180 H 1 0.42961 0.07023 0.15450 1
H181 H 1 0.07023 0.15450 0.42961 1
H182 H 1 0.84550 0.42961 0.92977 1
H183 H 1 0.15450 0.57039 0.92977 1
H184 H 1 0.84550 0.57039 0.07023 1
H185 H 1 0.20099 0.62751 0.21742 1
H186 H 1 0.78258 0.20099 0.37249 1
H187 H 1 0.20099 0.37249 0.78258 1
H188 H 1 0.21742 0.79901 0.37249 1
H189 H 1 0.79901 0.37249 0.21742 1
H190 H 1 0.21742 0.20099 0.62751 1
H191 H 1 0.79901 0.62751 0.78258 1
H192 H 1 0.78258 0.79901 0.62751 1
H193 H 1 0.62752 0.21742 0.20099 1
H194 H 1 0.37248 0.78258 0.20099 1
H195 H 1 0.37248 0.21742 0.79901 1
H196 H 1 0.62752 0.78258 0.79901 1
H197 H 1 0.37249 0.79901 0.78258 1
H198 H 1 0.79901 0.21742 0.62751 1
H199 H 1 0.62751 0.79901 0.21742 1
H200 H 1 0.20099 0.78258 0.62751 1
H201 H 1 0.62751 0.20099 0.78258 1
H202 H 1 0.79901 0.78258 0.37248 1
H203 H 1 0.37249 0.20099 0.21742 1
H204 H 1 0.20099 0.21742 0.37249 1
H205 H 1 0.78258 0.37249 0.79901 1
H206 H 1 0.21742 0.62752 0.79901 1
H207 H 1 0.78258 0.62752 0.20099 1
H208 H 1 0.07734 0.56330 0.34752 1
H209 H 1 0.65248 0.07734 0.43670 1
H210 H 1 0.07734 0.43670 0.65248 1
H211 H 1 0.34752 0.92266 0.43670 1
H212 H 1 0.92266 0.43670 0.34752 1
H213 H 1 0.34752 0.07734 0.56330 1
H214 H 1 0.92266 0.56330 0.65248 1
H215 H 1 0.65248 0.92266 0.56330 1
H216 H 1 0.56330 0.34752 0.07734 1
H217 H 1 0.43670 0.65248 0.07734 1
H218 H 1 0.43670 0.34752 0.92266 1
H219 H 1 0.56330 0.65248 0.92266 1
H220 H 1 0.43670 0.92266 0.65248 1
H221 H 1 0.92266 0.34752 0.56330 1
H222 H 1 0.56330 0.92266 0.34752 1
H223 H 1 0.07734 0.65248 0.56330 1
H224 H 1 0.56330 0.07734 0.65248 1
H225 H 1 0.92266 0.65248 0.43670 1
H226 H 1 0.43670 0.07734 0.34752 1
H227 H 1 0.07734 0.34752 0.43670 1
H228 H 1 0.65248 0.43670 0.92266 1
H229 H 1 0.34752 0.56330 0.92266 1
H230 H 1 0.65248 0.56330 0.07734 1
H231 H 1 0.12145 0.50160 0.21121 1
H232 H 1 0.78879 0.12145 0.49840 1
H233 H 1 0.12145 0.49840 0.78879 1
H234 H 1 0.21121 0.87855 0.49840 1
H235 H 1 0.87855 0.49840 0.21121 1
H236 H 1 0.21121 0.12145 0.50160 1
H237 H 1 0.87855 0.50160 0.78879 1
H238 H 1 0.78879 0.87855 0.50160 1
H239 H 1 0.50160 0.21121 0.12145 1
H240 H 1 0.49840 0.78879 0.12145 1
H241 H 1 0.49840 0.21121 0.87855 1
H242 H 1 0.50160 0.78879 0.87855 1
H243 H 1 0.49840 0.87855 0.78879 1
H244 H 1 0.87855 0.21121 0.50160 1
H245 H 1 0.50160 0.87855 0.21121 1
H246 H 1 0.12145 0.78879 0.50160 1
H247 H 1 0.50160 0.12145 0.78879 1
H248 H 1 0.87855 0.78879 0.49840 1
H249 H 1 0.49840 0.12145 0.21121 1
H250 H 1 0.12145 0.21121 0.49840 1
H251 H 1 0.78879 0.49840 0.87855 1
H252 H 1 0.21121 0.50160 0.87855 1
H253 H 1 0.78879 0.50160 0.12145 1
H254 H 1 0.06401 0.68431 0.19789 1
H255 H 1 0.80211 0.06401 0.31569 1
H256 H 1 0.06401 0.31569 0.80211 1
H257 H 1 0.19789 0.93599 0.31569 1
H258 H 1 0.93599 0.31569 0.19789 1
H259 H 1 0.19789 0.06401 0.68431 1
H260 H 1 0.93599 0.68431 0.80211 1
H261 H 1 0.80211 0.93599 0.68431 1
H262 H 1 0.68431 0.19789 0.06401 1
H263 H 1 0.31569 0.80211 0.06401 1
H264 H 1 0.31569 0.19789 0.93599 1
H265 H 1 0.68431 0.80211 0.93599 1
H266 H 1 0.31569 0.93599 0.80211 1
H267 H 1 0.93598 0.19789 0.68431 1
H268 H 1 0.68431 0.93599 0.19789 1
H269 H 1 0.06401 0.80211 0.68431 1
H270 H 1 0.68431 0.06401 0.80211 1
H271 H 1 0.93599 0.80211 0.31569 1
H272 H 1 0.31569 0.06401 0.19789 1
H273 H 1 0.06402 0.19789 0.31569 1
H274 H 1 0.80211 0.31569 0.93599 1
H275 H 1 0.19789 0.68431 0.93599 1
H276 H 1 0.80211 0.68431 0.06401 1
H277 H 1 0.19789 0.31569 0.06401 1
H278 H 1 0.21121 0.49840 0.12145 1
H279 H 1 0.34752 0.43670 0.07734 1
H280 H 1 0.21742 0.37249 0.20099 1
H281 H 1 0.15450 0.42961 0.07023 1
H282 H 1 0.30196 0.30978 0.07097 1
H283 H 1 0.30261 0.40606 0.19375 1
H284 H 1 0.37309 0.66738 0.79305 1
H285 H 1 0.42488 0.85586 0.91703 1
H286 H 1 0.46085 0.64431 0.91762 1
H287 H 1 0.30649 0.80136 0.96158 1
H288 H 1 0.43440 0.72278 0.00108 1
Li1 Li 1 0.89208 0.60666 0.25436 1
Li2 Li 1 0.74564 0.89208 0.39334 1
Li3 Li 1 0.89208 0.39334 0.74564 1
Li4 Li 1 0.25436 0.10792 0.39334 1
Li5 Li 1 0.10792 0.39334 0.25436 1
Li6 Li 1 0.25436 0.89208 0.60666 1
Li7 Li 1 0.10792 0.60666 0.74564 1
Li8 Li 1 0.74564 0.10792 0.60666 1
Li9 Li 1 0.60666 0.25436 0.89208 1
Li10 Li 1 0.39334 0.74564 0.89208 1
Li11 Li 1 0.39334 0.25436 0.10792 1
Li12 Li 1 0.60666 0.74564 0.10792 1
Li13 Li 1 0.39334 0.10792 0.74564 1
Li14 Li 1 0.10792 0.25436 0.60666 1
Li15 Li 1 0.60666 0.10792 0.25436 1
Li16 Li 1 0.89208 0.74564 0.60666 1
Li17 Li 1 0.60666 0.89208 0.74564 1
Li18 Li 1 0.10792 0.74564 0.39334 1
Li19 Li 1 0.39334 0.89208 0.25436 1
Li20 Li 1 0.89208 0.25436 0.39334 1
Li21 Li 1 0.74564 0.39334 0.10792 1
Li22 Li 1 0.25436 0.60666 0.10792 1
Li23 Li 1 0.74564 0.60666 0.89208 1
Li24 Li 1 0.25436 0.39334 0.89208 1
B1 B 1 0.10061 0.60024 0.25074 1
B2 B 1 0.74926 0.10061 0.39976 1
B3 B 1 0.10061 0.39976 0.74926 1
B4 B 1 0.25074 0.89939 0.39976 1
B5 B 1 0.89939 0.39976 0.25074 1
B6 B 1 0.25074 0.10061 0.60024 1
B7 B 1 0.89939 0.60024 0.74926 1
B8 B 1 0.74926 0.89939 0.60024 1
B9 B 1 0.60024 0.25074 0.10061 1
B10 B 1 0.39976 0.74926 0.10061 1
B11 B 1 0.39976 0.25074 0.89939 1
B12 B 1 0.60024 0.74926 0.89939 1
B13 B 1 0.39976 0.89939 0.74926 1
B14 B 1 0.89939 0.25074 0.60024 1
B15 B 1 0.60024 0.89939 0.25074 1
B16 B 1 0.10061 0.74926 0.60024 1
B17 B 1 0.60024 0.10061 0.74926 1
B18 B 1 0.89939 0.74926 0.39976 1
B19 B 1 0.39976 0.10061 0.25074 1
B20 B 1 0.10061 0.25074 0.39976 1
B21 B 1 0.74926 0.39976 0.89939 1
B22 B 1 0.25074 0.60024 0.89939 1
B23 B 1 0.74926 0.60024 0.10061 1
B24 B 1 0.25074 0.39976 0.10061 1
C1 C 1 0.17096 0.62549 0.31220 1
C2 C 1 0.68780 0.17096 0.37451 1
C3 C 1 0.17096 0.37451 0.68780 1
C4 C 1 0.31220 0.82904 0.37451 1
C5 C 1 0.82904 0.37451 0.31220 1
C6 C 1 0.31220 0.17096 0.62549 1
C7 C 1 0.82904 0.62549 0.68780 1
C8 C 1 0.68780 0.82904 0.62549 1
C9 C 1 0.62549 0.31220 0.17096 1
C10 C 1 0.37451 0.68780 0.17096 1
C11 C 1 0.37451 0.31220 0.82904 1
C12 C 1 0.62549 0.68780 0.82904 1
C13 C 1 0.37451 0.82904 0.68780 1
C14 C 1 0.82904 0.31220 0.62549 1
C15 C 1 0.62549 0.82904 0.31220 1
C16 C 1 0.17096 0.68780 0.62549 1
C17 C 1 0.62549 0.17096 0.68780 1
C18 C 1 0.82904 0.68780 0.37451 1
C19 C 1 0.37451 0.17096 0.31220 1
C20 C 1 0.17096 0.31220 0.37451 1
C21 C 1 0.68780 0.37451 0.82904 1
C22 C 1 0.31220 0.62549 0.82904 1
C23 C 1 0.68780 0.62549 0.17096 1
C24 C 1 0.17656 0.66188 0.34747 1
C25 C 1 0.65253 0.17656 0.33812 1
C26 C 1 0.17655 0.33812 0.65253 1
C27 C 1 0.34747 0.82344 0.33812 1
C28 C 1 0.82345 0.33812 0.34747 1
C29 C 1 0.34747 0.17656 0.66188 1
C30 C 1 0.82344 0.66188 0.65253 1
C31 C 1 0.65253 0.82344 0.66188 1
C32 C 1 0.66188 0.34747 0.17656 1
C33 C 1 0.33812 0.65253 0.17656 1
C34 C 1 0.33812 0.34747 0.82344 1
C35 C 1 0.66188 0.65253 0.82344 1
C36 C 1 0.33812 0.82345 0.65253 1
C37 C 1 0.82344 0.34747 0.66188 1
C38 C 1 0.66188 0.82344 0.34747 1
C39 C 1 0.17656 0.65253 0.66188 1
C40 C 1 0.66188 0.17655 0.65253 1
C41 C 1 0.82344 0.65253 0.33812 1
C42 C 1 0.33812 0.17655 0.34747 1
C43 C 1 0.17656 0.34747 0.33812 1
C44 C 1 0.65253 0.33812 0.82345 1
C45 C 1 0.34747 0.66188 0.82344 1
C46 C 1 0.65253 0.66188 0.17656 1
C47 C 1 0.10667 0.67485 0.31174 1
C48 C 1 0.68826 0.10667 0.32515 1
C49 C 1 0.10667 0.32515 0.68826 1
C50 C 1 0.31174 0.89332 0.32515 1
C51 C 1 0.89333 0.32515 0.31174 1
C52 C 1 0.31174 0.10667 0.67485 1
C53 C 1 0.89333 0.67485 0.68826 1
C54 C 1 0.68826 0.89332 0.67485 1
C55 C 1 0.67485 0.31174 0.10667 1
C56 C 1 0.32515 0.68826 0.10667 1
C57 C 1 0.32515 0.31174 0.89332 1
C58 C 1 0.67485 0.68826 0.89332 1
C59 C 1 0.32515 0.89333 0.68826 1
C60 C 1 0.89332 0.31174 0.67485 1
C61 C 1 0.67485 0.89332 0.31174 1
C62 C 1 0.10668 0.68826 0.67485 1
C63 C 1 0.67485 0.10667 0.68826 1
C64 C 1 0.89332 0.68826 0.32515 1
C65 C 1 0.32515 0.10667 0.31174 1
C66 C 1 0.10667 0.31174 0.32515 1
C67 C 1 0.68826 0.32515 0.89333 1
C68 C 1 0.31174 0.67485 0.89332 1
C69 C 1 0.68826 0.67485 0.10667 1
C70 C 1 0.10835 0.58244 0.15679 1
C71 C 1 0.84321 0.10835 0.41756 1
C72 C 1 0.10835 0.41756 0.84321 1
C73 C 1 0.15679 0.89165 0.41756 1
C74 C 1 0.89165 0.41756 0.15679 1
C75 C 1 0.15679 0.10835 0.58244 1
C76 C 1 0.89165 0.58244 0.84321 1
C77 C 1 0.84321 0.89165 0.58244 1
C78 C 1 0.58244 0.15679 0.10835 1
C79 C 1 0.41756 0.84320 0.10835 1
C80 C 1 0.41756 0.15679 0.89165 1
C81 C 1 0.58244 0.84321 0.89165 1
C82 C 1 0.41756 0.89165 0.84321 1
C83 C 1 0.89165 0.15679 0.58244 1
C84 C 1 0.58244 0.89165 0.15679 1
C85 C 1 0.10835 0.84321 0.58244 1
C86 C 1 0.58244 0.10835 0.84321 1
C87 C 1 0.89165 0.84321 0.41756 1
C88 C 1 0.41756 0.10835 0.15679 1
C89 C 1 0.10835 0.15679 0.41756 1
C90 C 1 0.84321 0.41756 0.89165 1
C91 C 1 0.15679 0.58244 0.89165 1
C92 C 1 0.84320 0.58244 0.10835 1
C93 C 1 0.14533 0.58508 0.12183 1
C94 C 1 0.87817 0.14533 0.41493 1
C95 C 1 0.14533 0.41492 0.87817 1
C96 C 1 0.12183 0.85466 0.41493 1
C97 C 1 0.85467 0.41492 0.12183 1
C98 C 1 0.12183 0.14533 0.58508 1
C99 C 1 0.85467 0.58508 0.87817 1
C100 C 1 0.87817 0.85467 0.58508 1
C101 C 1 0.58508 0.12183 0.14533 1
C102 C 1 0.41493 0.87817 0.14533 1
C103 C 1 0.41492 0.12183 0.85467 1
C104 C 1 0.58508 0.87817 0.85467 1
C105 C 1 0.41492 0.85467 0.87817 1
C106 C 1 0.85467 0.12183 0.58508 1
C107 C 1 0.58508 0.85466 0.12183 1
C108 C 1 0.14533 0.87817 0.58508 1
C109 C 1 0.58508 0.14533 0.87817 1
C110 C 1 0.85467 0.87817 0.41492 1
C111 C 1 0.41492 0.14533 0.12183 1
C112 C 1 0.14533 0.12183 0.41492 1
C113 C 1 0.87817 0.41493 0.85467 1
C114 C 1 0.12183 0.58507 0.85467 1
C115 C 1 0.87817 0.58507 0.14533 1
C116 C 1 0.17603 0.61215 0.19007 1
C117 C 1 0.80993 0.17602 0.38785 1
C118 C 1 0.17602 0.38785 0.80993 1
C119 C 1 0.19007 0.82398 0.38785 1
C120 C 1 0.82398 0.38785 0.19007 1
C121 C 1 0.19007 0.17602 0.61215 1
C122 C 1 0.82398 0.61215 0.80993 1
C123 C 1 0.80993 0.82398 0.61214 1
C124 C 1 0.61215 0.19007 0.17602 1
C125 C 1 0.38785 0.80993 0.17602 1
C126 C 1 0.38785 0.19007 0.82398 1
C127 C 1 0.61215 0.80993 0.82398 1
C128 C 1 0.38785 0.82398 0.80993 1
C129 C 1 0.82398 0.19007 0.61215 1
C130 C 1 0.61215 0.82398 0.19007 1
C131 C 1 0.17603 0.80993 0.61215 1
C132 C 1 0.61215 0.17602 0.80993 1
C133 C 1 0.82398 0.80993 0.38785 1
C134 C 1 0.38785 0.17602 0.19007 1
C135 C 1 0.17602 0.19007 0.38785 1
C136 C 1 0.80993 0.38785 0.82398 1
C137 C 1 0.19007 0.61215 0.82398 1
C138 C 1 0.80993 0.61215 0.17602 1
C139 C 1 0.08646 0.53512 0.32052 1
C140 C 1 0.67948 0.08646 0.46488 1
C141 C 1 0.08646 0.46488 0.67948 1
C142 C 1 0.32052 0.91354 0.46488 1
C143 C 1 0.91354 0.46488 0.32052 1
C144 C 1 0.32052 0.08647 0.53512 1
C145 C 1 0.91354 0.53512 0.67948 1
C146 C 1 0.67948 0.91353 0.53512 1
C147 C 1 0.53512 0.32052 0.08646 1
C148 C 1 0.46488 0.67948 0.08646 1
C149 C 1 0.46488 0.32052 0.91354 1
C150 C 1 0.53512 0.67948 0.91354 1
C151 C 1 0.46488 0.91354 0.67948 1
C152 C 1 0.91353 0.32052 0.53512 1
C153 C 1 0.53512 0.91354 0.32052 1
C154 C 1 0.08647 0.67948 0.53512 1
C155 C 1 0.53512 0.08646 0.67948 1
C156 C 1 0.91354 0.67948 0.46488 1
C157 C 1 0.46488 0.08646 0.32052 1
C158 C 1 0.08647 0.32052 0.46488 1
C159 C 1 0.67948 0.46488 0.91354 1
C160 C 1 0.32052 0.53512 0.91354 1
C161 C 1 0.67948 0.53512 0.08646 1
C162 C 1 0.08936 0.48433 0.32393 1
C163 C 1 0.67607 0.08936 0.51567 1
C164 C 1 0.08936 0.51567 0.67607 1
C165 C 1 0.32392 0.91064 0.51567 1
C166 C 1 0.91064 0.51567 0.32393 1
C167 C 1 0.32393 0.08936 0.48433 1
C168 C 1 0.91064 0.48433 0.67607 1
C169 C 1 0.67607 0.91063 0.48433 1
C170 C 1 0.48433 0.32392 0.08936 1
C171 C 1 0.51567 0.67607 0.08936 1
C172 C 1 0.51567 0.32392 0.91064 1
C173 C 1 0.48433 0.67607 0.91064 1
C174 C 1 0.51567 0.91064 0.67607 1
C175 C 1 0.91064 0.32393 0.48433 1
C176 C 1 0.48433 0.91064 0.32393 1
C177 C 1 0.08936 0.67607 0.48433 1
C178 C 1 0.48433 0.08936 0.67607 1
C179 C 1 0.91064 0.67607 0.51567 1
C180 C 1 0.51567 0.08936 0.32393 1
C181 C 1 0.08936 0.32393 0.51567 1
C182 C 1 0.67608 0.51567 0.91064 1
C183 C 1 0.32392 0.48433 0.91064 1
C184 C 1 0.67607 0.48433 0.08936 1
C185 C 1 0.10974 0.50366 0.24950 1
C186 C 1 0.75050 0.10974 0.49634 1
C187 C 1 0.10974 0.49634 0.75049 1
C188 C 1 0.24950 0.89026 0.49634 1
C189 C 1 0.89026 0.49634 0.24950 1
C190 C 1 0.24951 0.10974 0.50366 1
C191 C 1 0.89026 0.50366 0.75049 1
C192 C 1 0.75049 0.89025 0.50366 1
C193 C 1 0.50366 0.24950 0.10975 1
C194 C 1 0.49634 0.75050 0.10974 1
C195 C 1 0.49634 0.24950 0.89026 1
C196 C 1 0.50366 0.75050 0.89025 1
C197 C 1 0.49634 0.89026 0.75050 1
C198 C 1 0.89026 0.24950 0.50366 1
C199 C 1 0.50366 0.89026 0.24950 1
C200 C 1 0.10974 0.75049 0.50366 1
C201 C 1 0.50366 0.10974 0.75050 1
C202 C 1 0.89026 0.75049 0.49634 1
C203 C 1 0.49634 0.10974 0.24950 1
C204 C 1 0.10974 0.24951 0.49634 1
C205 C 1 0.75050 0.49634 0.89026 1
C206 C 1 0.24950 0.50366 0.89026 1
C207 C 1 0.75050 0.50366 0.10974 1
C208 C 1 0.03564 0.66149 0.21461 1
C209 C 1 0.78539 0.03564 0.33851 1
C210 C 1 0.03563 0.33851 0.78539 1
C211 C 1 0.21461 0.96436 0.33851 1
C212 C 1 0.96437 0.33851 0.21461 1
C213 C 1 0.21461 0.03564 0.66149 1
C214 C 1 0.96436 0.66149 0.78539 1
C215 C 1 0.78539 0.96436 0.66149 1
C216 C 1 0.66149 0.21461 0.03564 1
C217 C 1 0.33851 0.78539 0.03564 1
C218 C 1 0.33851 0.21461 0.96436 1
C219 C 1 0.66149 0.78539 0.96436 1
C220 C 1 0.33851 0.96437 0.78539 1
C221 C 1 0.96436 0.21461 0.66149 1
C222 C 1 0.66149 0.96436 0.21461 1
C223 C 1 0.03564 0.78539 0.66149 1
C224 C 1 0.66149 0.03564 0.78539 1
C225 C 1 0.96436 0.78539 0.33851 1
C226 C 1 0.33851 0.03564 0.21461 1
C227 C 1 0.03564 0.21461 0.33851 1
C228 C 1 0.78539 0.33851 0.96436 1
C229 C 1 0.21461 0.66149 0.96436 1
C230 C 1 0.78539 0.66149 0.03564 1
C231 C 1 0.98481 0.66539 0.21536 1
C232 C 1 0.78464 0.98481 0.33461 1
C233 C 1 0.98480 0.33461 0.78463 1
C234 C 1 0.21536 0.01519 0.33461 1
C235 C 1 0.01519 0.33461 0.21536 1
C236 C 1 0.21536 0.98481 0.66539 1
C237 C 1 0.01519 0.66539 0.78464 1
C238 C 1 0.78464 0.01519 0.66539 1
C239 C 1 0.66539 0.21536 0.98481 1
C240 C 1 0.33461 0.78464 0.98481 1
C241 C 1 0.33461 0.21536 0.01519 1
C242 C 1 0.66539 0.78464 0.01519 1
C243 C 1 0.33461 0.01519 0.78464 1
C244 C 1 0.01519 0.21536 0.66539 1
C245 C 1 0.66539 0.01519 0.21536 1
C246 C 1 0.98481 0.78464 0.66539 1
C247 C 1 0.66539 0.98481 0.78463 1
C248 C 1 0.01519 0.78464 0.33461 1
C249 C 1 0.33461 0.98481 0.21536 1
C250 C 1 0.98481 0.21536 0.33461 1
C251 C 1 0.78464 0.33461 0.01519 1
C252 C 1 0.21536 0.66539 0.01519 1
C253 C 1 0.78464 0.66539 0.98481 1
C254 C 1 0.00353 0.59947 0.25589 1
C255 C 1 0.74411 0.00353 0.40053 1
C256 C 1 0.00353 0.40053 0.74411 1
C257 C 1 0.25589 0.99647 0.40053 1
C258 C 1 0.99647 0.40053 0.25589 1
C259 C 1 0.25589 0.00353 0.59947 1
C260 C 1 0.99647 0.59947 0.74411 1
C261 C 1 0.74411 0.99647 0.59947 1
C262 C 1 0.59947 0.25589 0.00353 1
C263 C 1 0.40053 0.74411 0.00353 1
C264 C 1 0.40053 0.25589 0.99647 1
C265 C 1 0.59947 0.74411 0.99647 1
C266 C 1 0.40053 0.99647 0.74411 1
C267 C 1 0.99647 0.25589 0.59947 1
C268 C 1 0.59947 0.99647 0.25589 1
C269 C 1 0.00353 0.74411 0.59947 1
C270 C 1 0.59947 0.00353 0.74411 1
C271 C 1 0.99647 0.74411 0.40053 1
C272 C 1 0.40053 0.00353 0.25588 1
C273 C 1 0.00353 0.25589 0.40053 1
C274 C 1 0.74411 0.40053 0.99647 1
C275 C 1 0.25589 0.59947 0.99647 1
C276 C 1 0.74411 0.59947 0.00353 1
C277 C 1 0.25589 0.40053 0.00353 1
C278 C 1 0.21536 0.33461 0.98481 1
C279 C 1 0.21461 0.33851 0.03564 1
C280 C 1 0.24950 0.49634 0.10974 1
C281 C 1 0.32392 0.51567 0.08936 1
C282 C 1 0.32052 0.46488 0.08646 1
C283 C 1 0.19007 0.38785 0.17602 1
C284 C 1 0.12183 0.41493 0.14533 1
C285 C 1 0.15679 0.41756 0.10835 1
C286 C 1 0.31174 0.32515 0.10667 1
C287 C 1 0.34747 0.33812 0.17656 1
C288 C 1 0.31220 0.37451 0.17096 1
N1 N 1 0.13596 0.69272 0.34707 1
N2 N 1 0.65293 0.13597 0.30728 1
N3 N 1 0.13596 0.30728 0.65293 1
N4 N 1 0.34707 0.86403 0.30728 1
N5 N 1 0.86404 0.30728 0.34707 1
N6 N 1 0.34707 0.13597 0.69272 1
N7 N 1 0.86404 0.69272 0.65293 1
N8 N 1 0.65293 0.86403 0.69272 1
N9 N 1 0.69272 0.34707 0.13596 1
N10 N 1 0.30728 0.65293 0.13596 1
N11 N 1 0.30728 0.34707 0.86404 1
N12 N 1 0.69272 0.65293 0.86404 1
N13 N 1 0.30728 0.86404 0.65293 1
N14 N 1 0.86403 0.34707 0.69272 1
N15 N 1 0.69272 0.86404 0.34707 1
N16 N 1 0.13597 0.65293 0.69272 1
N17 N 1 0.69272 0.13596 0.65293 1
N18 N 1 0.86403 0.65293 0.30728 1
N19 N 1 0.30728 0.13596 0.34707 1
N20 N 1 0.13597 0.34707 0.30728 1
N21 N 1 0.65293 0.30728 0.86404 1
N22 N 1 0.34707 0.69272 0.86404 1
N23 N 1 0.65293 0.69272 0.13596 1
N24 N 1 0.12607 0.63410 0.28911 1
N25 N 1 0.71089 0.12607 0.36590 1
N26 N 1 0.12607 0.36590 0.71089 1
N27 N 1 0.28911 0.87393 0.36590 1
N28 N 1 0.87393 0.36590 0.28911 1
N29 N 1 0.28911 0.12607 0.63410 1
N30 N 1 0.87393 0.63410 0.71089 1
N31 N 1 0.71089 0.87393 0.63410 1
N32 N 1 0.63410 0.28911 0.12607 1
N33 N 1 0.36590 0.71089 0.12607 1
N34 N 1 0.36590 0.28911 0.87393 1
N35 N 1 0.63410 0.71089 0.87393 1
N36 N 1 0.36590 0.87393 0.71089 1
N37 N 1 0.87393 0.28911 0.63410 1
N38 N 1 0.63410 0.87393 0.28911 1
N39 N 1 0.12607 0.71089 0.63410 1
N40 N 1 0.63410 0.12607 0.71089 1
N41 N 1 0.87393 0.71089 0.36590 1
N42 N 1 0.36590 0.12607 0.28911 1
N43 N 1 0.12607 0.28911 0.36590 1
N44 N 1 0.71089 0.36590 0.87393 1
N45 N 1 0.28911 0.63410 0.87393 1
N46 N 1 0.71089 0.63410 0.12607 1
N47 N 1 0.18776 0.60386 0.14298 1
N48 N 1 0.85702 0.18776 0.39614 1
N49 N 1 0.18776 0.39614 0.85702 1
N50 N 1 0.14298 0.81224 0.39614 1
N51 N 1 0.81224 0.39614 0.14298 1
N52 N 1 0.14298 0.18776 0.60386 1
N53 N 1 0.81224 0.60386 0.85702 1
N54 N 1 0.85702 0.81224 0.60386 1
N55 N 1 0.60386 0.14298 0.18776 1
N56 N 1 0.39614 0.85702 0.18776 1
N57 N 1 0.39614 0.14298 0.81224 1
N58 N 1 0.60386 0.85702 0.81225 1
N59 N 1 0.39614 0.81224 0.85702 1
N60 N 1 0.81224 0.14298 0.60386 1
N61 N 1 0.60386 0.81224 0.14298 1
N62 N 1 0.18776 0.85702 0.60386 1
N63 N 1 0.60386 0.18776 0.85702 1
N64 N 1 0.81224 0.85702 0.39614 1
N65 N 1 0.39614 0.18776 0.14298 1
N66 N 1 0.18776 0.14298 0.39614 1
N67 N 1 0.85702 0.39614 0.81224 1
N68 N 1 0.14298 0.60386 0.81225 1
N69 N 1 0.85702 0.60386 0.18776 1
N70 N 1 0.12819 0.59991 0.20063 1
N71 N 1 0.79937 0.12819 0.40009 1
N72 N 1 0.12819 0.40009 0.79937 1
N73 N 1 0.20063 0.87181 0.40009 1
N74 N 1 0.87181 0.40009 0.20063 1
N75 N 1 0.20063 0.12819 0.59991 1
N76 N 1 0.87181 0.59991 0.79937 1
N77 N 1 0.79937 0.87181 0.59991 1
N78 N 1 0.59991 0.20063 0.12819 1
N79 N 1 0.40009 0.79937 0.12819 1
N80 N 1 0.40009 0.20063 0.87181 1
N81 N 1 0.59991 0.79937 0.87181 1
N82 N 1 0.40009 0.87181 0.79937 1
N83 N 1 0.87181 0.20063 0.59991 1
N84 N 1 0.59991 0.87181 0.20063 1
N85 N 1 0.12819 0.79937 0.59991 1
N86 N 1 0.59991 0.12819 0.79937 1
N87 N 1 0.87181 0.79937 0.40009 1
N88 N 1 0.40009 0.12819 0.20063 1
N89 N 1 0.12819 0.20063 0.40009 1
N90 N 1 0.79937 0.40009 0.87181 1
N91 N 1 0.20063 0.59991 0.87181 1
N92 N 1 0.79937 0.59991 0.12819 1
N93 N 1 0.10407 0.46478 0.27920 1
N94 N 1 0.72080 0.10407 0.53522 1
N95 N 1 0.10407 0.53522 0.72080 1
N96 N 1 0.27920 0.89593 0.53522 1
N97 N 1 0.89593 0.53522 0.27920 1
N98 N 1 0.27920 0.10407 0.46478 1
N99 N 1 0.89593 0.46478 0.72080 1
N100 N 1 0.72080 0.89593 0.46478 1
N101 N 1 0.46478 0.27919 0.10407 1
N102 N 1 0.53522 0.72081 0.10407 1
N103 N 1 0.53522 0.27920 0.89593 1
N104 N 1 0.46478 0.72080 0.89593 1
N105 N 1 0.53522 0.89593 0.72080 1
N106 N 1 0.89593 0.27920 0.46478 1
N107 N 1 0.46478 0.89593 0.27920 1
N108 N 1 0.10407 0.72080 0.46478 1
N109 N 1 0.46478 0.10407 0.72080 1
N110 N 1 0.89593 0.72080 0.53522 1
N111 N 1 0.53522 0.10407 0.27920 1
N112 N 1 0.10407 0.27920 0.53522 1
N113 N 1 0.72081 0.53522 0.89593 1
N114 N 1 0.27920 0.46478 0.89593 1
N115 N 1 0.72080 0.46478 0.10407 1
N116 N 1 0.09949 0.54737 0.27257 1
N117 N 1 0.72743 0.09949 0.45263 1
N118 N 1 0.09949 0.45263 0.72743 1
N119 N 1 0.27257 0.90051 0.45263 1
N120 N 1 0.90051 0.45263 0.27257 1
N121 N 1 0.27257 0.09949 0.54737 1
N122 N 1 0.90051 0.54737 0.72743 1
N123 N 1 0.72743 0.90051 0.54737 1
N124 N 1 0.54737 0.27257 0.09949 1
N125 N 1 0.45263 0.72743 0.09949 1
N126 N 1 0.45263 0.27257 0.90051 1
N127 N 1 0.54737 0.72743 0.90051 1
N128 N 1 0.45263 0.90051 0.72743 1
N129 N 1 0.90051 0.27257 0.54737 1
N130 N 1 0.54737 0.90051 0.27257 1
N131 N 1 0.09950 0.72743 0.54737 1
N132 N 1 0.54737 0.09949 0.72743 1
N133 N 1 0.90051 0.72743 0.45263 1
N134 N 1 0.45263 0.09949 0.27257 1
N135 N 1 0.09949 0.27257 0.45263 1
N136 N 1 0.72743 0.45263 0.90051 1
N137 N 1 0.27257 0.54737 0.90051 1
N138 N 1 0.72743 0.54737 0.09949 1
N139 N 1 0.96481 0.62625 0.24127 1
N140 N 1 0.75873 0.96481 0.37374 1
N141 N 1 0.96481 0.37374 0.75873 1
N142 N 1 0.24127 0.03519 0.37374 1
N143 N 1 0.03519 0.37374 0.24127 1
N144 N 1 0.24127 0.96481 0.62626 1
N145 N 1 0.03519 0.62626 0.75873 1
N146 N 1 0.75873 0.03519 0.62626 1
N147 N 1 0.62626 0.24127 0.96481 1
N148 N 1 0.37374 0.75873 0.96481 1
N149 N 1 0.37374 0.24127 0.03519 1
N150 N 1 0.62626 0.75873 0.03519 1
N151 N 1 0.37374 0.03520 0.75873 1
N152 N 1 0.03519 0.24127 0.62626 1
N153 N 1 0.62626 0.03519 0.24127 1
N154 N 1 0.96481 0.75873 0.62626 1
N155 N 1 0.62626 0.96481 0.75873 1
N156 N 1 0.03519 0.75873 0.37374 1
N157 N 1 0.37374 0.96481 0.24127 1
N158 N 1 0.96481 0.24127 0.37374 1
N159 N 1 0.75873 0.37374 0.03519 1
N160 N 1 0.24127 0.62626 0.03519 1
N161 N 1 0.75873 0.62626 0.96481 1
N162 N 1 0.04751 0.61910 0.24074 1
N163 N 1 0.75926 0.04751 0.38090 1
N164 N 1 0.04751 0.38090 0.75926 1
N165 N 1 0.24074 0.95249 0.38090 1
N166 N 1 0.95249 0.38090 0.24074 1
N167 N 1 0.24074 0.04751 0.61910 1
N168 N 1 0.95249 0.61910 0.75926 1
N169 N 1 0.75926 0.95249 0.61910 1
N170 N 1 0.61910 0.24074 0.04751 1
N171 N 1 0.38090 0.75926 0.04751 1
N172 N 1 0.38090 0.24074 0.95249 1
N173 N 1 0.61910 0.75926 0.95249 1
N174 N 1 0.38090 0.95249 0.75926 1
N175 N 1 0.95249 0.24074 0.61910 1
N176 N 1 0.61910 0.95249 0.24074 1
N177 N 1 0.04751 0.75926 0.61910 1
N178 N 1 0.61910 0.04751 0.75926 1
N179 N 1 0.95249 0.75926 0.38090 1
N180 N 1 0.38090 0.04751 0.24074 1
N181 N 1 0.04751 0.24074 0.38090 1
N182 N 1 0.75926 0.38090 0.95249 1
N183 N 1 0.24074 0.61910 0.95249 1
N184 N 1 0.75926 0.61910 0.04751 1
N185 N 1 0.24074 0.38090 0.04751 1
N186 N 1 0.24127 0.37374 0.96481 1
N187 N 1 0.27257 0.45263 0.09949 1
N188 N 1 0.27919 0.53522 0.10407 1
N189 N 1 0.20063 0.40009 0.12819 1
N190 N 1 0.14298 0.39614 0.18776 1
N191 N 1 0.28911 0.36590 0.12607 1
N192 N 1 0.34707 0.30728 0.13596 1
#End of data
data_sod
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
sod/H-H 2.41/Li-N 2.07
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_sod.cif. 
;
_cell_length_a                      15.9536
_cell_length_b                      15.9536
_cell_length_c                      15.9536
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        4060.468
_cell_formula_units_Z               6
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.55814 0.91995 0.09657 1
H2 H 1 0.90344 0.55813 0.07986 1
H3 H 1 0.55812 0.07985 0.90344 1
H4 H 1 0.09656 0.44182 0.07988 1
H5 H 1 0.44182 0.07988 0.09655 1
H6 H 1 0.09658 0.55815 0.91995 1
H7 H 1 0.44181 0.91993 0.90342 1
H8 H 1 0.90342 0.44181 0.91994 1
H9 H 1 0.91993 0.09656 0.55815 1
H10 H 1 0.07985 0.90346 0.55813 1
H11 H 1 0.07987 0.09653 0.44183 1
H12 H 1 0.91992 0.90344 0.44182 1
H13 H 1 0.41997 0.05810 0.59653 1
H14 H 1 0.05808 0.40346 0.57993 1
H15 H 1 0.57991 0.05808 0.40348 1
H16 H 1 0.94178 0.59652 0.57997 1
H17 H 1 0.57995 0.94179 0.59650 1
H18 H 1 0.05810 0.59654 0.42000 1
H19 H 1 0.41994 0.94177 0.40348 1
H20 H 1 0.94176 0.40346 0.41996 1
H21 H 1 0.59653 0.41998 0.05810 1
H22 H 1 0.40348 0.57993 0.05809 1
H23 H 1 0.59650 0.57997 0.94179 1
H24 H 1 0.34766 0.89778 0.25752 1
H25 H 1 0.74245 0.34767 0.10210 1
H26 H 1 0.34767 0.10209 0.74245 1
H27 H 1 0.25756 0.65227 0.10207 1
H28 H 1 0.65226 0.10206 0.25756 1
H29 H 1 0.25752 0.34767 0.89778 1
H30 H 1 0.65227 0.89781 0.74245 1
H31 H 1 0.74246 0.65227 0.89781 1
H32 H 1 0.89778 0.25750 0.34767 1
H33 H 1 0.10208 0.74246 0.34768 1
H34 H 1 0.10206 0.25755 0.65227 1
H35 H 1 0.89780 0.74248 0.65228 1
H36 H 1 0.39780 0.84763 0.75747 1
H37 H 1 0.84764 0.24249 0.60217 1
H38 H 1 0.60214 0.84764 0.24250 1
H39 H 1 0.15222 0.75754 0.60206 1
H40 H 1 0.60205 0.15223 0.75752 1
H41 H 1 0.84763 0.75749 0.39779 1
H42 H 1 0.39788 0.15224 0.24250 1
H43 H 1 0.15223 0.24247 0.39789 1
H44 H 1 0.75747 0.39781 0.84764 1
H45 H 1 0.24251 0.60215 0.84764 1
H46 H 1 0.75751 0.60206 0.15223 1
H47 H 1 0.34106 0.77375 0.13423 1
H48 H 1 0.86572 0.34112 0.22615 1
H49 H 1 0.34111 0.22614 0.86573 1
H50 H 1 0.13430 0.65886 0.22613 1
H51 H 1 0.65887 0.22612 0.13430 1
H52 H 1 0.13424 0.34107 0.77375 1
H53 H 1 0.65894 0.77380 0.86576 1
H54 H 1 0.86575 0.65893 0.77379 1
H55 H 1 0.77375 0.13422 0.34105 1
H56 H 1 0.22613 0.86573 0.34111 1
H57 H 1 0.22612 0.13429 0.65887 1
H58 H 1 0.77378 0.86577 0.65894 1
H59 H 1 0.27373 0.84106 0.63424 1
H60 H 1 0.84108 0.36574 0.72622 1
H61 H 1 0.72619 0.84107 0.36575 1
H62 H 1 0.15888 0.63428 0.72613 1
H63 H 1 0.72612 0.15889 0.63427 1
H64 H 1 0.84108 0.63425 0.27372 1
H65 H 1 0.27381 0.15890 0.36575 1
H66 H 1 0.15888 0.36573 0.27382 1
H67 H 1 0.63424 0.27372 0.84107 1
H68 H 1 0.36575 0.72621 0.84107 1
H69 H 1 0.63427 0.72613 0.15888 1
H70 H 1 0.36574 0.27381 0.15888 1
H71 H 1 0.24250 0.39788 0.15223 1
H72 H 1 0.40348 0.41995 0.94177 1
Li1 Li 1 0.00000 0.50000 0.75000 1
Li2 Li 1 0.75000 0.00000 0.50000 1
Li3 Li 1 0.24991 0.00000 0.50000 1
Li4 Li 1 0.00000 0.50000 0.25000 1
Li5 Li 1 0.50000 0.75000 0.00000 1
Li6 Li 1 0.50000 0.24991 0.00000 1
B1 B 1 0.50000 0.99992 0.75000 1
B2 B 1 0.99990 0.75000 0.50000 1
B3 B 1 0.50000 0.99992 0.25000 1
B4 B 1 0.99990 0.25000 0.50000 1
B5 B 1 0.75000 0.50000 0.99992 1
B6 B 1 0.25000 0.50000 0.99991 1
C1 C 1 0.39060 0.88301 0.20660 1
C2 C 1 0.79338 0.39062 0.11686 1
C3 C 1 0.39061 0.11685 0.79339 1
C4 C 1 0.20663 0.60933 0.11684 1
C5 C 1 0.60933 0.11684 0.20663 1
C6 C 1 0.20660 0.39061 0.88301 1
C7 C 1 0.60934 0.88304 0.79338 1
C8 C 1 0.79338 0.60934 0.88303 1
C9 C 1 0.88301 0.20659 0.39061 1
C10 C 1 0.11684 0.79339 0.39062 1
C11 C 1 0.11683 0.20661 0.60934 1
C12 C 1 0.88302 0.79339 0.60935 1
C13 C 1 0.38304 0.89057 0.70657 1
C14 C 1 0.89057 0.29340 0.61691 1
C15 C 1 0.61689 0.89058 0.29342 1
C16 C 1 0.10930 0.70660 0.61686 1
C17 C 1 0.61685 0.10932 0.70659 1
C18 C 1 0.89057 0.70658 0.38304 1
C19 C 1 0.38307 0.10932 0.29342 1
C20 C 1 0.10930 0.29340 0.38308 1
C21 C 1 0.70657 0.38304 0.89058 1
C22 C 1 0.29342 0.61690 0.89058 1
C23 C 1 0.70658 0.61686 0.10931 1
C24 C 1 0.38833 0.82202 0.14480 1
C25 C 1 0.85517 0.38837 0.17785 1
C26 C 1 0.38836 0.17785 0.85517 1
C27 C 1 0.14485 0.61159 0.17784 1
C28 C 1 0.61160 0.17783 0.14484 1
C29 C 1 0.14481 0.38834 0.82202 1
C30 C 1 0.61165 0.82206 0.85518 1
C31 C 1 0.85518 0.61164 0.82205 1
C32 C 1 0.82201 0.14479 0.38833 1
C33 C 1 0.17784 0.85518 0.38837 1
C34 C 1 0.17783 0.14483 0.61160 1
C35 C 1 0.82204 0.85520 0.61166 1
C36 C 1 0.32201 0.88831 0.64479 1
C37 C 1 0.88831 0.35519 0.67793 1
C38 C 1 0.67791 0.88831 0.35520 1
C39 C 1 0.11159 0.64481 0.67786 1
C40 C 1 0.67785 0.11161 0.64480 1
C41 C 1 0.88832 0.64481 0.32201 1
C42 C 1 0.32207 0.11160 0.35520 1
C43 C 1 0.11158 0.35519 0.32208 1
C44 C 1 0.64480 0.32201 0.88832 1
C45 C 1 0.35520 0.67792 0.88832 1
C46 C 1 0.64480 0.67786 0.11160 1
C47 C 1 0.50018 0.89542 0.12339 1
C48 C 1 0.87662 0.50018 0.10442 1
C49 C 1 0.50017 0.10441 0.87662 1
C50 C 1 0.12339 0.49977 0.10443 1
C51 C 1 0.49977 0.10443 0.12338 1
C52 C 1 0.12340 0.50019 0.89542 1
C53 C 1 0.49977 0.89542 0.87660 1
C54 C 1 0.87660 0.49977 0.89542 1
C55 C 1 0.89540 0.12337 0.50019 1
C56 C 1 0.10441 0.87664 0.50018 1
C57 C 1 0.10442 0.12336 0.49978 1
C58 C 1 0.89540 0.87661 0.49978 1
C59 C 1 0.39543 0.00014 0.62334 1
C60 C 1 0.00013 0.37664 0.60448 1
C61 C 1 0.60447 0.00013 0.37666 1
C62 C 1 0.99974 0.62336 0.60448 1
C63 C 1 0.60446 0.99975 0.62335 1
C64 C 1 0.00014 0.62336 0.39544 1
C65 C 1 0.39544 0.99973 0.37664 1
C66 C 1 0.99972 0.37662 0.39546 1
C67 C 1 0.62334 0.39543 0.00015 1
C68 C 1 0.37666 0.60448 0.00013 1
C69 C 1 0.62335 0.60448 0.99975 1
C70 C 1 0.37664 0.39544 0.99973 1
C71 C 1 0.35520 0.32207 0.11159 1
C72 C 1 0.29342 0.38307 0.10931 1
N1 N 1 0.45747 0.82986 0.09279 1
N2 N 1 0.90720 0.45749 0.17001 1
N3 N 1 0.45748 0.17000 0.90720 1
N4 N 1 0.09281 0.54247 0.17002 1
N5 N 1 0.54248 0.17001 0.09281 1
N6 N 1 0.09280 0.45748 0.82985 1
N7 N 1 0.54251 0.82987 0.90720 1
N8 N 1 0.90720 0.54251 0.82987 1
N9 N 1 0.82984 0.09278 0.45747 1
N10 N 1 0.17000 0.90721 0.45749 1
N11 N 1 0.17001 0.09279 0.54248 1
N12 N 1 0.82985 0.90721 0.54252 1
N13 N 1 0.32984 0.95745 0.59278 1
N14 N 1 0.95744 0.40720 0.67007 1
N15 N 1 0.67006 0.95744 0.40722 1
N16 N 1 0.04246 0.59279 0.67004 1
N17 N 1 0.67003 0.04248 0.59277 1
N18 N 1 0.95745 0.59280 0.32985 1
N19 N 1 0.32988 0.04246 0.40722 1
N20 N 1 0.04244 0.40720 0.32989 1
N21 N 1 0.59278 0.32984 0.95745 1
N22 N 1 0.40722 0.67008 0.95744 1
N23 N 1 0.59278 0.67005 0.04247 1
N24 N 1 0.46252 0.93025 0.19276 1
N25 N 1 0.80724 0.46251 0.06959 1
N26 N 1 0.46250 0.06959 0.80724 1
N27 N 1 0.19277 0.53742 0.06960 1
N28 N 1 0.53742 0.06959 0.19276 1
N29 N 1 0.19277 0.46253 0.93024 1
N30 N 1 0.53741 0.93025 0.80722 1
N31 N 1 0.80722 0.53742 0.93025 1
N32 N 1 0.93023 0.19274 0.46253 1
N33 N 1 0.06958 0.80726 0.46252 1
N34 N 1 0.06958 0.19274 0.53744 1
N35 N 1 0.93023 0.80724 0.53742 1
N36 N 1 0.43027 0.96248 0.69271 1
N37 N 1 0.96247 0.30727 0.56966 1
N38 N 1 0.56964 0.96248 0.30729 1
N39 N 1 0.03738 0.69274 0.56963 1
N40 N 1 0.56962 0.03740 0.69272 1
N41 N 1 0.96248 0.69272 0.43028 1
N42 N 1 0.43029 0.03739 0.30727 1
N43 N 1 0.03737 0.30725 0.43031 1
N44 N 1 0.69270 0.43028 0.96249 1
N45 N 1 0.30729 0.56965 0.96248 1
N46 N 1 0.69272 0.56963 0.03739 1
N47 N 1 0.30727 0.43030 0.03738 1
N48 N 1 0.40722 0.32988 0.04245 1
#End of datadata_sra
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
sra/H-H 2.42/Li-N 2.00-2.13
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: sra.cif. 
;
_cell_length_a                      15.7025
_cell_length_b                      17.5775
_cell_length_c                      9.6455
_cell_angle_alpha                   94.23
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        2655.009
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.26010 0.97304 0.72714 1
H2 H 1 0.50714 0.06751 0.74824 1
H3 H 1 0.52055 0.90870 0.72115 1
H4 H 1 0.82088 0.60042 0.99892 1
H5 H 1 0.76099 0.80734 0.23339 1
H6 H 1 0.67035 0.79854 0.98474 1
H7 H 1 0.29996 0.90165 0.96507 1
H8 H 1 0.21309 0.72413 0.67795 1
H9 H 1 0.62776 0.18728 0.52414 1
H10 H 1 0.52285 0.77213 0.59261 1
H11 H 1 0.52944 0.68551 0.98923 1
H12 H 1 0.37403 0.75792 0.95788 1
H13 H 1 0.12580 0.77202 0.45433 1
H14 H 1 0.97545 0.69431 0.50565 1
H15 H 1 0.97472 0.75957 0.09080 1
H16 H 1 0.88198 0.22488 0.92337 1
H17 H 1 0.29612 0.69389 0.26374 1
H18 H 1 0.28064 0.91126 0.47878 1
H19 H 1 0.84746 0.81644 0.44177 1
H20 H 1 0.74445 0.81046 0.67636 1
H21 H 1 0.75439 0.59124 0.46771 1
H22 H 1 0.01221 0.92533 0.26292 1
H23 H 1 0.98376 0.08246 0.29020 1
H24 H 1 0.24696 0.03838 0.22382 1
H25 H 1 0.75303 0.53838 0.22382 1
H26 H 1 0.01622 0.58245 0.29022 1
H27 H 1 0.98777 0.42533 0.26294 1
H28 H 1 0.24559 0.09124 0.46771 1
H29 H 1 0.25553 0.31047 0.67636 1
H30 H 1 0.15252 0.31644 0.44176 1
H31 H 1 0.71935 0.41125 0.47879 1
H32 H 1 0.70387 0.19389 0.26374 1
H33 H 1 0.11801 0.72489 0.92337 1
H34 H 1 0.02527 0.25957 0.09080 1
H35 H 1 0.02454 0.19431 0.50564 1
H36 H 1 0.87418 0.27202 0.45433 1
H37 H 1 0.62595 0.25792 0.95788 1
H38 H 1 0.47054 0.18551 0.98923 1
H39 H 1 0.47713 0.27213 0.59260 1
H40 H 1 0.37223 0.68728 0.52415 1
H41 H 1 0.78690 0.22413 0.67796 1
H42 H 1 0.70003 0.40165 0.96507 1
H43 H 1 0.32962 0.29855 0.98472 1
H44 H 1 0.23899 0.30735 0.23337 1
H45 H 1 0.17911 0.10042 0.99892 1
H46 H 1 0.47944 0.40870 0.72115 1
H47 H 1 0.49284 0.56751 0.74824 1
H48 H 1 0.73989 0.47304 0.72715 1
Li1 Li 1 0.66644 0.65769 0.76684 1
Li2 Li 1 0.17610 0.84433 0.19591 1
Li3 Li 1 0.82389 0.34433 0.19591 1
Li4 Li 1 0.33355 0.15769 0.76683 1
B1 B 1 0.35595 0.83068 0.70026 1
B2 B 1 0.86286 0.67353 0.27587 1
B3 B 1 0.13713 0.17353 0.27586 1
B4 B 1 0.64403 0.33068 0.70026 1
C1 C 1 0.32935 0.97853 0.72782 1
C2 C 1 0.45712 0.02440 0.73821 1
C3 C 1 0.46480 0.94565 0.72479 1
C4 C 1 0.79167 0.65575 0.02674 1
C5 C 1 0.76126 0.76386 0.14697 1
C6 C 1 0.71613 0.75845 0.02332 1
C7 C 1 0.26178 0.85381 0.92161 1
C8 C 1 0.21629 0.76117 0.77356 1
C9 C 1 0.65823 0.23446 0.47620 1
C10 C 1 0.50474 0.75840 0.69717 1
C11 C 1 0.50537 0.71457 0.90104 1
C12 C 1 0.42779 0.75054 0.88696 1
C13 C 1 0.07237 0.75766 0.38507 1
C14 C 1 0.99825 0.71893 0.41219 1
C15 C 1 0.99713 0.75256 0.19626 1
C16 C 1 0.83001 0.26221 0.89617 1
C17 C 1 0.30378 0.73883 0.34710 1
C18 C 1 0.29472 0.85103 0.45377 1
C19 C 1 0.81130 0.76944 0.48007 1
C20 C 1 0.76045 0.76545 0.59663 1
C21 C 1 0.76427 0.65211 0.49285 1
C22 C 1 0.05742 0.97223 0.25939 1
C23 C 1 0.04235 0.05003 0.27286 1
C24 C 1 0.17926 0.02772 0.23954 1
C25 C 1 0.82073 0.52772 0.23954 1
C26 C 1 0.95764 0.55003 0.27287 1
C27 C 1 0.94257 0.47223 0.25940 1
C28 C 1 0.23572 0.15211 0.49284 1
C29 C 1 0.23954 0.26545 0.59662 1
C30 C 1 0.18869 0.26944 0.48006 1
C31 C 1 0.70526 0.35103 0.45378 1
C32 C 1 0.69621 0.23883 0.34710 1
C33 C 1 0.16997 0.76221 0.89616 1
C34 C 1 0.00286 0.25256 0.19625 1
C35 C 1 0.00174 0.21893 0.41219 1
C36 C 1 0.92762 0.25766 0.38507 1
C37 C 1 0.57219 0.25054 0.88696 1
C38 C 1 0.49461 0.21458 0.90105 1
C39 C 1 0.49525 0.25840 0.69717 1
C40 C 1 0.34175 0.73446 0.47620 1
C41 C 1 0.78370 0.26117 0.77357 1
C42 C 1 0.73821 0.35381 0.92162 1
C43 C 1 0.28385 0.25846 0.02330 1
C44 C 1 0.23871 0.26386 0.14695 1
C45 C 1 0.20833 0.15574 0.02673 1
C46 C 1 0.53519 0.44565 0.72479 1
C47 C 1 0.54286 0.52440 0.73822 1
C48 C 1 0.67063 0.47853 0.72783 1
N1 N 1 0.37177 0.04482 0.74039 1
N2 N 1 0.38265 0.91615 0.71855 1
N3 N 1 0.80976 0.69764 0.14968 1
N4 N 1 0.73511 0.69016 0.94820 1
N5 N 1 0.27494 0.82046 0.78989 1
N6 N 1 0.66365 0.30695 0.54449 1
N7 N 1 0.55356 0.71952 0.78154 1
N8 N 1 0.42724 0.77886 0.75579 1
N9 N 1 0.07147 0.77893 0.24930 1
N10 N 1 0.94986 0.71583 0.29086 1
N11 N 1 0.80088 0.32048 0.98897 1
N12 N 1 0.27387 0.81224 0.33365 1
N13 N 1 0.81376 0.69637 0.41358 1
N14 N 1 0.73126 0.69152 0.60408 1
N15 N 1 0.14360 0.95833 0.23841 1
N16 N 1 0.12070 0.08586 0.26016 1
N17 N 1 0.87928 0.58586 0.26017 1
N18 N 1 0.85638 0.45833 0.23842 1
N19 N 1 0.26873 0.19152 0.60408 1
N20 N 1 0.18622 0.19637 0.41357 1
N21 N 1 0.72611 0.31224 0.33366 1
N22 N 1 0.19911 0.82049 0.98897 1
N23 N 1 0.05013 0.21583 0.29085 1
N24 N 1 0.92851 0.27893 0.24930 1
N25 N 1 0.57275 0.27886 0.75579 1
N26 N 1 0.44643 0.21952 0.78154 1
N27 N 1 0.33634 0.80695 0.54448 1
N28 N 1 0.72505 0.32046 0.78989 1
N29 N 1 0.26487 0.19016 0.94819 1
N30 N 1 0.19022 0.19764 0.14966 1
N31 N 1 0.61734 0.41615 0.71855 1
N32 N 1 0.62822 0.54482 0.74039 1
#End of data

data_unc
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
unc/H-H 2.25/Li-N 2.05-2.12
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: unc.cif. 
;
_cell_length_a                      13.7877
_cell_length_b                      8.3567
_cell_length_c                      17.2522
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        1987.793
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.43634 0.65852 0.32064 1
H2 H 1 0.85261 0.06089 0.71311 1
H3 H 1 0.67976 0.64683 0.73537 1
H4 H 1 0.45553 0.48479 0.87393 1
H5 H 1 0.90863 0.24838 0.11833 1
H6 H 1 0.48110 0.65714 0.05692 1
H7 H 1 0.49885 0.24060 0.19481 1
H8 H 1 0.81257 0.95512 0.09829 1
H9 H 1 0.84354 0.87938 0.94287 1
H10 H 1 0.66989 0.29380 0.95464 1
H11 H 1 0.67766 0.50629 0.22181 1
H12 H 1 0.65858 0.51127 0.03052 1
H13 H 1 0.92863 0.82349 0.61818 1
H14 H 1 0.34739 0.85334 0.43021 1
H15 H 1 0.19260 0.87704 0.21758 1
H16 H 1 0.98330 0.49793 0.20746 1
H17 H 1 0.42089 0.24381 0.76671 1
H18 H 1 0.98050 0.61803 0.53176 1
H19 H 1 0.94812 0.30934 0.72548 1
H20 H 1 0.19339 0.87959 0.64063 1
H21 H 1 0.16489 0.77791 0.48814 1
H22 H 1 0.24066 0.26953 0.48937 1
H23 H 1 0.20507 0.59897 0.74185 1
H24 H 1 0.16108 0.49873 0.57609 1
H25 H 1 0.83892 0.99873 0.42391 1
H26 H 1 0.79493 0.09896 0.25815 1
H27 H 1 0.75935 0.76953 0.51064 1
H28 H 1 0.83510 0.27790 0.51187 1
H29 H 1 0.80660 0.37959 0.35937 1
H30 H 1 0.05189 0.80934 0.27453 1
H31 H 1 0.01949 0.11804 0.46824 1
H32 H 1 0.57911 0.74380 0.23330 1
H33 H 1 0.01670 0.99795 0.79255 1
H34 H 1 0.80740 0.37703 0.78242 1
H35 H 1 0.65261 0.35335 0.56980 1
H36 H 1 0.07137 0.32349 0.38182 1
H37 H 1 0.34142 0.01128 0.96948 1
H38 H 1 0.32235 0.00628 0.77819 1
H39 H 1 0.33012 0.79380 0.04536 1
H40 H 1 0.15646 0.37938 0.05714 1
H41 H 1 0.18743 0.45512 0.90172 1
H42 H 1 0.50116 0.74059 0.80519 1
H43 H 1 0.51890 0.15714 0.94308 1
H44 H 1 0.09137 0.74840 0.88168 1
H45 H 1 0.54447 0.98479 0.12608 1
H46 H 1 0.32024 0.14683 0.26464 1
H47 H 1 0.14740 0.56090 0.28689 1
H48 H 1 0.56366 0.15852 0.67937 1
Li1 Li 1 0.32091 0.53349 0.17823 1
Li2 Li 1 0.19419 0.23268 0.68958 1
Li3 Li 1 0.80582 0.73268 0.31042 1
Li4 Li 1 0.67909 0.03348 0.82178 1
B1 B 1 0.82137 0.52135 0.62500 1
B2 B 1 0.69338 0.23079 0.12453 1
B3 B 1 0.30662 0.73079 0.87548 1
B4 B 1 0.17863 0.02135 0.37500 1
C1 C 1 0.37185 0.73321 0.31477 1
C2 C 1 0.82739 0.93853 0.70426 1
C3 C 1 0.73658 0.72955 0.71719 1
C4 C 1 0.39988 0.47428 0.82936 1
C5 C 1 0.87221 0.33830 0.15364 1
C6 C 1 0.75161 0.47192 0.20677 1
C7 C 1 0.59757 0.47300 0.06610 1
C8 C 1 0.50969 0.54670 0.08164 1
C9 C 1 0.51587 0.33394 0.15277 1
C10 C 1 0.78895 0.01552 0.04557 1
C11 C 1 0.80302 0.97880 0.96805 1
C12 C 1 0.71400 0.19155 0.97194 1
C13 C 1 0.86518 0.82215 0.65578 1
C14 C 1 0.32806 0.82849 0.37028 1
C15 C 1 0.24641 0.84074 0.26055 1
C16 C 1 0.90780 0.46425 0.19778 1
C17 C 1 0.38017 0.35390 0.77642 1
C18 C 1 0.26935 0.53438 0.76144 1
C19 C 1 0.08970 0.47721 0.60142 1
C20 C 1 0.00064 0.53849 0.57915 1
C21 C 1 0.98248 0.37795 0.67927 1
C22 C 1 0.19993 0.94661 0.58669 1
C23 C 1 0.18555 0.89412 0.51151 1
C24 C 1 0.22461 0.15006 0.51147 1
C25 C 1 0.77539 0.65006 0.48853 1
C26 C 1 0.81445 0.39411 0.48849 1
C27 C 1 0.80007 0.44661 0.41332 1
C28 C 1 0.01752 0.87795 0.32073 1
C29 C 1 0.99936 0.03849 0.42085 1
C30 C 1 0.91030 0.97721 0.39858 1
C31 C 1 0.73066 0.03438 0.23856 1
C32 C 1 0.61983 0.85390 0.22358 1
C33 C 1 0.09220 0.96426 0.80223 1
C34 C 1 0.75359 0.34074 0.73946 1
C35 C 1 0.67194 0.32849 0.62973 1
C36 C 1 0.13483 0.32215 0.34423 1
C37 C 1 0.28600 0.69155 0.02806 1
C38 C 1 0.19698 0.47881 0.03196 1
C39 C 1 0.21105 0.51553 0.95443 1
C40 C 1 0.48414 0.83393 0.84723 1
C41 C 1 0.49031 0.04669 0.91837 1
C42 C 1 0.40244 0.97299 0.93390 1
C43 C 1 0.24840 0.97192 0.79323 1
C44 C 1 0.12779 0.83831 0.84637 1
C45 C 1 0.60012 0.97429 0.17064 1
C46 C 1 0.26343 0.22955 0.28282 1
C47 C 1 0.17262 0.43853 0.29574 1
C48 C 1 0.62815 0.23321 0.68524 1
N1 N 1 0.32032 0.74088 0.24593 1
N2 N 1 0.74674 0.87973 0.74308 1
N3 N 1 0.32918 0.59135 0.81885 1
N4 N 1 0.77164 0.34395 0.15957 1
N5 N 1 0.60112 0.33486 0.11120 1
N6 N 1 0.45845 0.45901 0.13634 1
N7 N 1 0.73131 0.15247 0.04796 1
N8 N 1 0.75512 0.08922 0.92189 1
N9 N 1 0.80659 0.68749 0.66407 1
N10 N 1 0.24668 0.89690 0.33569 1
N11 N 1 0.83143 0.54814 0.23097 1
N12 N 1 0.29746 0.39127 0.73436 1
N13 N 1 0.07780 0.37544 0.66413 1
N14 N 1 0.93165 0.47467 0.62941 1
N15 N 1 0.22396 0.10803 0.58654 1
N16 N 1 0.20186 0.02486 0.46320 1
N17 N 1 0.79813 0.52486 0.53680 1
N18 N 1 0.77605 0.60803 0.41347 1
N19 N 1 0.06835 0.97467 0.37060 1
N20 N 1 0.92220 0.87544 0.33588 1
N21 N 1 0.70254 0.89126 0.26564 1
N22 N 1 0.16858 0.04814 0.76903 1
N23 N 1 0.75332 0.39690 0.66432 1
N24 N 1 0.19342 0.18749 0.33593 1
N25 N 1 0.24488 0.58922 0.07812 1
N26 N 1 0.26870 0.65247 0.95204 1
N27 N 1 0.54155 0.95900 0.86366 1
N28 N 1 0.39889 0.83486 0.88880 1
N29 N 1 0.22836 0.84395 0.84044 1
N30 N 1 0.67082 0.09135 0.18115 1
N31 N 1 0.25327 0.37973 0.25693 1
N32 N 1 0.67968 0.24088 0.75408 1
#End of data

data_uni
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
uni/H-H 2.18/Li-N 2.03-2.14
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: uni.cif. 
;
_cell_length_a                      14.9717
_cell_length_b                      14.9717
_cell_length_c                      8.3948
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   120
_cell_volume                        1629.608
_cell_formula_units_Z               3
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.25979 0.83296 0.19376 1
H2 H 1 0.08409 0.64462 0.13100 1
H3 H 1 0.16558 0.83614 0.72158 1
H4 H 1 0.57068 0.73570 0.86098 1
H5 H 1 0.55842 0.91205 0.80258 1
H6 H 1 0.67432 0.83714 0.39329 1
H7 H 1 0.21389 0.19013 0.29459 1
H8 H 1 0.21579 0.01226 0.19932 1
H9 H 1 0.43389 0.26368 0.92563 1
H10 H 1 0.97990 0.78980 0.95001 1
H11 H 1 0.80036 0.78778 0.85298 1
H12 H 1 0.82938 0.56284 0.59148 1
H13 H 1 0.81138 0.02360 0.62447 1
H14 H 1 0.98785 0.20268 0.52296 1
H15 H 1 0.73211 0.16838 0.26035 1
H16 H 1 0.16409 0.42634 0.52462 1
H17 H 1 0.35294 0.43921 0.46575 1
H18 H 1 0.16341 0.32679 0.05471 1
H19 H 1 0.54044 0.82117 0.25916 1
H20 H 1 0.42522 0.83754 0.01374 1
H21 H 1 0.52539 0.09493 0.31681 1
H22 H 1 0.28034 0.45609 0.91756 1
H23 H 1 0.41286 0.57130 0.67313 1
H24 H 1 0.56971 0.47318 0.98080 1
H25 H 1 0.60756 0.40252 0.55493 1
H26 H 1 0.45337 0.27055 0.34456 1
H27 H 1 0.52406 0.57874 0.26294 1
H28 H 1 0.79414 0.39430 0.21987 1
H29 H 1 0.81852 0.54894 0.00859 1
H30 H 1 0.05178 0.47242 0.92573 1
H31 H 1 0.59953 0.20557 0.89287 1
H32 H 1 0.73018 0.18225 0.68125 1
H33 H 1 0.42117 0.94575 0.60210 1
H34 H 1 0.17876 0.71824 0.58554 1
H35 H 1 0.16112 0.58683 0.33911 1
H36 H 1 0.90348 0.43068 0.64216 1
Li1 Li 1 0.37500 0.01346 0.96016 1
Li2 Li 1 0.63932 0.62440 0.62348 1
Li3 Li 1 0.98435 0.36015 0.28704 1
B1 B 1 0.37357 0.37611 0.14699 1
B2 B 1 0.00321 0.62573 0.81077 1
B3 B 1 0.62302 0.99668 0.48420 1
C1 C 1 0.21476 0.80569 0.08438 1
C2 C 1 0.12814 0.71101 0.05410 1
C3 C 1 0.17072 0.80942 0.84039 1
C4 C 1 0.58978 0.78231 0.75316 1
C5 C 1 0.58199 0.86930 0.72505 1
C6 C 1 0.64100 0.83020 0.51143 1
C7 C 1 0.25951 0.17870 0.20440 1
C8 C 1 0.26201 0.09141 0.15673 1
C9 C 1 0.37465 0.21811 0.01356 1
C10 C 1 0.92200 0.74265 0.86183 1
C11 C 1 0.83235 0.74015 0.81329 1
C12 C 1 0.84420 0.62396 0.67640 1
C13 C 1 0.82143 0.08035 0.53461 1
C14 C 1 0.90801 0.16972 0.48373 1
C15 C 1 0.77906 0.15516 0.34620 1
C16 C 1 0.19190 0.40813 0.41627 1
C17 C 1 0.28684 0.41633 0.38795 1
C18 C 1 0.18946 0.35921 0.17339 1
C19 C 1 0.52257 0.88170 0.23318 1
C20 C 1 0.46516 0.89086 0.11149 1
C21 C 1 0.51429 0.02344 0.26410 1
C22 C 1 0.35901 0.47439 0.89297 1
C23 C 1 0.42603 0.53172 0.77167 1
C24 C 1 0.50931 0.48369 0.92672 1
C25 C 1 0.56832 0.42085 0.46189 1
C26 C 1 0.49193 0.35405 0.35822 1
C27 C 1 0.52798 0.51400 0.31512 1
C28 C 1 0.85157 0.43243 0.12628 1
C29 C 1 0.86219 0.50903 0.02216 1
C30 C 1 0.98396 0.47001 0.97841 1
C31 C 1 0.58053 0.14776 0.79997 1
C32 C 1 0.64671 0.13769 0.69553 1
C33 C 1 0.48634 0.01432 0.65368 1
C34 C 1 0.11775 0.64011 0.55922 1
C35 C 1 0.10793 0.57361 0.43699 1
C36 C 1 0.97524 0.49069 0.58960 1
N1 N 1 0.24174 0.86732 0.94936 1
N2 N 1 0.10040 0.71291 0.89648 1
N3 N 1 0.62641 0.75751 0.61817 1
N4 N 1 0.61388 0.89954 0.56886 1
N5 N 1 0.33156 0.25996 0.11137 1
N6 N 1 0.33467 0.11668 0.03702 1
N7 N 1 0.92980 0.66831 0.77282 1
N8 N 1 0.78359 0.66515 0.69710 1
N9 N 1 0.73870 0.07081 0.44522 1
N10 N 1 0.88088 0.21659 0.36564 1
N11 N 1 0.13090 0.37271 0.28065 1
N12 N 1 0.28579 0.38601 0.23098 1
N13 N 1 0.55409 0.96686 0.33193 1
N14 N 1 0.45997 0.98014 0.13145 1
N15 N 1 0.41253 0.44359 0.99331 1
N16 N 1 0.52065 0.53753 0.79344 1
N17 N 1 0.59031 0.52135 0.43490 1
N18 N 1 0.46642 0.41428 0.26354 1
N19 N 1 0.92877 0.40857 0.09893 1
N20 N 1 0.94717 0.53272 0.92672 1
N21 N 1 0.47975 0.06957 0.77376 1
N22 N 1 0.58580 0.05200 0.60113 1
N23 N 1 0.03258 0.58679 0.65799 1
N24 N 1 0.01815 0.47953 0.45662 1
#End of data

data_zec
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
epi/H-H 2.18/Li-N 2.04-2.10
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_epifinal.cif. 
;
_cell_length_a                      35.7095
_cell_length_b                      18.1942
_cell_length_c                      24.7191
_cell_angle_alpha                   90
_cell_angle_beta                    133.55
_cell_angle_gamma                   90
_cell_volume                        11639.96
_cell_formula_units_Z               20
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.39034 0.57221 0.47488 1
H2 H 1 0.60966 0.57221 0.02512 1
H3 H 1 0.60966 0.42779 0.52512 1
H4 H 1 0.24943 0.64831 0.39882 1
H5 H 1 0.75057 0.64830 0.10119 1
H6 H 1 0.75057 0.35169 0.60118 1
H7 H 1 0.25080 0.49513 0.40640 1
H8 H 1 0.74919 0.49512 0.09361 1
H9 H 1 0.74919 0.50487 0.59360 1
H10 H 1 0.38551 0.33615 0.58765 1
H11 H 1 0.61449 0.33615 0.91235 1
H12 H 1 0.61449 0.66385 0.41235 1
H13 H 1 0.44667 0.48340 0.53164 1
H14 H 1 0.55333 0.48340 0.96836 1
H15 H 1 0.55333 0.51660 0.46836 1
H16 H 1 0.52539 0.43404 0.67680 1
H17 H 1 0.47461 0.43404 0.82321 1
H18 H 1 0.47461 0.56595 0.32321 1
H19 H 1 0.26943 0.32603 0.33958 1
H20 H 1 0.73058 0.32603 0.16043 1
H21 H 1 0.73057 0.67397 0.66043 1
H22 H 1 0.31016 0.40757 0.53542 1
H23 H 1 0.68983 0.40756 0.96457 1
H24 H 1 0.68984 0.59243 0.46458 1
H25 H 1 0.22569 0.31363 0.46021 1
H26 H 1 0.77430 0.31363 0.03979 1
H27 H 1 0.77430 0.68637 0.53980 1
H28 H 1 0.62910 0.38444 0.71927 1
H29 H 1 0.37090 0.38443 0.78073 1
H30 H 1 0.37090 0.61556 0.28073 1
H31 H 1 0.76650 0.46857 0.92378 1
H32 H 1 0.23349 0.46857 0.57622 1
H33 H 1 0.23349 0.53143 0.07623 1
H34 H 1 0.76927 0.31522 0.93187 1
H35 H 1 0.23073 0.31522 0.56813 1
H36 H 1 0.23073 0.68478 0.06814 1
H37 H 1 0.74248 0.14794 0.67059 1
H38 H 1 0.25752 0.14795 0.82941 1
H39 H 1 0.25752 0.85206 0.32941 1
H40 H 1 0.79546 0.13046 0.56118 1
H41 H 1 0.20453 0.13045 0.93882 1
H42 H 1 0.20454 0.86954 0.43882 1
H43 H 1 0.70802 0.21988 0.47811 1
H44 H 1 0.29197 0.21988 0.02189 1
H45 H 1 0.29198 0.78012 0.52189 1
H46 H 1 0.31115 0.49673 0.32080 1
H47 H 1 0.68884 0.49673 0.17920 1
H48 H 1 0.68884 0.50327 0.67920 1
H49 H 1 0.37979 0.30389 0.32678 1
H50 H 1 0.62021 0.30389 0.17323 1
H51 H 1 0.62021 0.69611 0.67322 1
H52 H 1 0.39051 0.30427 0.44993 1
H53 H 1 0.60949 0.30426 0.05008 1
H54 H 1 0.60949 0.69573 0.55007 1
H55 H 1 0.55966 0.66554 0.70816 1
H56 H 1 0.44034 0.66553 0.79185 1
H57 H 1 0.44034 0.33446 0.29184 1
H58 H 1 0.62761 0.47552 0.84289 1
H59 H 1 0.37239 0.47552 0.65712 1
H60 H 1 0.37239 0.52448 0.15711 1
H61 H 1 0.54866 0.52304 0.83276 1
H62 H 1 0.45134 0.52304 0.66726 1
H63 H 1 0.45134 0.47696 0.16725 1
H64 H 1 0.69184 0.31145 0.70749 1
H65 H 1 0.30816 0.31145 0.79250 1
H66 H 1 0.30816 0.68855 0.29251 1
H67 H 1 0.59892 0.34772 0.40537 1
H68 H 1 0.40108 0.34773 0.09462 1
H69 H 1 0.40108 0.65227 0.59463 1
H70 H 1 0.59770 0.33947 0.77284 1
H71 H 1 0.40230 0.33947 0.72716 1
H72 H 1 0.40230 0.66053 0.22716 1
H73 H 1 0.85965 0.61165 0.80164 1
H74 H 1 0.14034 0.61165 0.69835 1
H75 H 1 0.14035 0.38835 0.19836 1
H76 H 1 0.85895 0.60523 0.91359 1
H77 H 1 0.14104 0.60522 0.58640 1
H78 H 1 0.14105 0.39477 0.08642 1
H79 H 1 0.45280 0.86411 0.21539 1
H80 H 1 0.54719 0.86411 0.28460 1
H81 H 1 0.54720 0.13589 0.78461 1
H82 H 1 0.36405 0.88722 0.18860 1
H83 H 1 0.63595 0.88722 0.31139 1
H84 H 1 0.63595 0.11278 0.81140 1
H85 H 1 0.99251 0.66927 0.32182 1
H86 H 1 0.00749 0.66928 0.17817 1
H87 H 1 0.00750 0.33072 0.67818 1
H88 H 1 0.07006 0.64371 0.47458 1
H89 H 1 0.92994 0.64372 0.02541 1
H90 H 1 0.92995 0.35628 0.52541 1
H91 H 1 0.89085 0.88325 0.96742 1
H92 H 1 0.10915 0.88324 0.53258 1
H93 H 1 0.10915 0.11675 0.03258 1
H94 H 1 0.75069 0.82012 0.90373 1
H95 H 1 0.24930 0.82011 0.59626 1
H96 H 1 0.24930 0.17988 0.09627 1
H97 H 1 0.75748 0.97356 0.90703 1
H98 H 1 0.24252 0.97355 0.59297 1
H99 H 1 0.24252 0.02644 0.09297 1
H100 H 1 0.90112 0.18113 0.09293 1
H101 H 1 0.09888 0.18113 0.40707 1
H102 H 1 0.09888 0.81887 0.90707 1
H103 H 1 0.96983 0.99875 0.08407 1
H104 H 1 0.03017 0.99875 0.41594 1
H105 H 1 0.03017 0.00125 0.91593 1
H106 H 1 0.03691 0.04989 0.23065 1
H107 H 1 0.96309 0.04989 0.26936 1
H108 H 1 0.96309 0.95011 0.76935 1
H109 H 1 0.75470 0.16043 0.81914 1
H110 H 1 0.24530 0.16042 0.68086 1
H111 H 1 0.24530 0.83957 0.18086 1
H112 H 1 0.80620 0.11815 0.02952 1
H113 H 1 0.19381 0.11814 0.47048 1
H114 H 1 0.19380 0.88185 0.97048 1
H115 H 1 0.71637 0.20233 0.94525 1
H116 H 1 0.28363 0.20233 0.55475 1
H117 H 1 0.28363 0.79767 0.05475 1
H118 H 1 0.12399 0.06794 0.23710 1
H119 H 1 0.87601 0.06794 0.26290 1
H120 H 1 0.87601 0.93206 0.76290 1
H121 H 1 0.27673 0.99559 0.42101 1
H122 H 1 0.72327 0.99560 0.07899 1
H123 H 1 0.72327 0.00441 0.57900 1
H124 H 1 0.27437 0.14920 0.41462 1
H125 H 1 0.72563 0.14921 0.08538 1
H126 H 1 0.72563 0.85080 0.58539 1
H127 H 1 0.24687 0.33794 0.17941 1
H128 H 1 0.75314 0.33794 0.32059 1
H129 H 1 0.75314 0.66206 0.82059 1
H130 H 1 0.26583 0.38301 0.03197 1
H131 H 1 0.73417 0.38301 0.46803 1
H132 H 1 0.73417 0.61699 0.96803 1
H133 H 1 0.17784 0.29603 0.95798 1
H134 H 1 0.82217 0.29604 0.54203 1
H135 H 1 0.82216 0.70398 0.04202 1
H136 H 1 0.82994 0.99598 0.80724 1
H137 H 1 0.17007 0.99597 0.69277 1
H138 H 1 0.17006 0.00402 0.19276 1
H139 H 1 0.85651 0.21162 0.77449 1
H140 H 1 0.14349 0.21162 0.72550 1
H141 H 1 0.14349 0.78838 0.22551 1
H142 H 1 0.87500 0.20729 0.90414 1
H143 H 1 0.12500 0.20729 0.59586 1
H144 H 1 0.12500 0.79271 0.09586 1
H145 H 1 0.07673 0.84243 0.21132 1
H146 H 1 0.92327 0.84244 0.28868 1
H147 H 1 0.92327 0.15757 0.78868 1
H148 H 1 0.15443 0.00426 0.38179 1
H149 H 1 0.84557 0.00427 0.11821 1
H150 H 1 0.84557 0.99574 0.61821 1
H151 H 1 0.06611 0.95782 0.34847 1
H152 H 1 0.93389 0.95782 0.15153 1
H153 H 1 0.93389 0.04219 0.65153 1
H154 H 1 0.17219 0.17671 0.16890 1
H155 H 1 0.82781 0.17671 0.33111 1
H156 H 1 0.82781 0.82329 0.83110 1
H157 H 1 0.10971 0.17251 0.91667 1
H158 H 1 0.89029 0.17252 0.58333 1
H159 H 1 0.89029 0.82749 0.08333 1
H160 H 1 0.06565 0.16970 0.21975 1
H161 H 1 0.93436 0.16971 0.28026 1
H162 H 1 0.93435 0.83030 0.78024 1
H163 H 1 0.38083 0.87878 0.30077 1
H164 H 1 0.61916 0.87878 0.19923 1
H165 H 1 0.61917 0.12122 0.69924 1
H166 H 1 0.38722 0.88051 0.41953 1
H167 H 1 0.61278 0.88052 0.08047 1
H168 H 1 0.61278 0.11949 0.58047 1
H169 H 1 0.95381 0.68128 0.66937 1
H170 H 1 0.04619 0.68129 0.83062 1
H171 H 1 0.04619 0.31872 0.33062 1
H172 H 1 0.86977 0.63779 0.64911 1
H173 H 1 0.13023 0.63779 0.85089 1
H174 H 1 0.13023 0.36220 0.35089 1
H175 H 1 0.46799 0.79287 0.77328 1
H176 H 1 0.53201 0.79287 0.72674 1
H177 H 1 0.53200 0.20713 0.22673 1
H178 H 1 0.53838 0.84089 0.92148 1
H179 H 1 0.46162 0.84089 0.57854 1
H180 H 1 0.46161 0.15911 0.07852 1
H181 H 1 0.53838 0.15911 0.42147 1
H182 H 1 0.46799 0.20713 0.27326 1
H183 H 1 0.86977 0.36220 0.14911 1
H184 H 1 0.95381 0.31871 0.16938 1
H185 H 1 0.38722 0.11948 0.91953 1
H186 H 1 0.38083 0.12122 0.80077 1
H187 H 1 0.06564 0.83029 0.71974 1
H188 H 1 0.10971 0.82749 0.41667 1
H189 H 1 0.17219 0.82328 0.66890 1
H190 H 1 0.06611 0.04218 0.84847 1
H191 H 1 0.15443 0.99573 0.88179 1
H192 H 1 0.07673 0.15757 0.71132 1
H193 H 1 0.87500 0.79271 0.40414 1
H194 H 1 0.85651 0.78838 0.27450 1
H195 H 1 0.82993 0.00403 0.30723 1
H196 H 1 0.17784 0.70397 0.45797 1
H197 H 1 0.26583 0.61699 0.53197 1
H198 H 1 0.24686 0.66206 0.67941 1
H199 H 1 0.27437 0.85079 0.91461 1
H200 H 1 0.27673 0.00440 0.92101 1
H201 H 1 0.12399 0.93205 0.73710 1
H202 H 1 0.71637 0.79767 0.44525 1
H203 H 1 0.80619 0.88186 0.52952 1
H204 H 1 0.75470 0.83958 0.31914 1
H205 H 1 0.03691 0.95011 0.73064 1
H206 H 1 0.96983 0.00125 0.58406 1
H207 H 1 0.90112 0.81887 0.59292 1
H208 H 1 0.75748 0.02645 0.40703 1
H209 H 1 0.75070 0.17989 0.40374 1
H210 H 1 0.89085 0.11676 0.46742 1
H211 H 1 0.07006 0.35627 0.97459 1
H212 H 1 0.99251 0.33072 0.82183 1
H213 H 1 0.36405 0.11278 0.68861 1
H214 H 1 0.45280 0.13589 0.71540 1
H215 H 1 0.85896 0.39478 0.41359 1
H216 H 1 0.85966 0.38835 0.30164 1
H217 H 1 0.59770 0.66053 0.27285 1
H218 H 1 0.59892 0.65227 0.90538 1
H219 H 1 0.69185 0.68856 0.20750 1
H220 H 1 0.54866 0.47696 0.33275 1
H221 H 1 0.62761 0.52447 0.34289 1
H222 H 1 0.55965 0.33446 0.20815 1
H223 H 1 0.39051 0.69573 0.94992 1
H224 H 1 0.37979 0.69611 0.82677 1
H225 H 1 0.31115 0.50328 0.82080 1
H226 H 1 0.70802 0.78012 0.97811 1
H227 H 1 0.79547 0.86955 0.06118 1
H228 H 1 0.74248 0.85205 0.17059 1
H229 H 1 0.76927 0.68478 0.43187 1
H230 H 1 0.76650 0.53143 0.42378 1
H231 H 1 0.62910 0.61557 0.21927 1
H232 H 1 0.22570 0.68638 0.96021 1
H233 H 1 0.31017 0.59244 0.03543 1
H234 H 1 0.26942 0.67397 0.83957 1
H235 H 1 0.52539 0.56595 0.17679 1
H236 H 1 0.44667 0.51660 0.03164 1
H237 H 1 0.38552 0.66385 0.08765 1
H238 H 1 0.25080 0.50488 0.90639 1
H239 H 1 0.24943 0.35170 0.89881 1
H240 H 1 0.39034 0.42779 0.97488 1
Li1 Li 1 0.50000 0.31053 0.75000 1
Li2 Li 1 0.65396 0.25692 0.54782 1
Li3 Li 1 0.34603 0.25693 0.95217 1
Li4 Li 1 0.34604 0.74307 0.45218 1
Li5 Li 1 0.17208 0.24242 0.29464 1
Li6 Li 1 0.82792 0.24242 0.20537 1
Li7 Li 1 0.82792 0.75758 0.70537 1
Li8 Li 1 0.85260 0.06277 0.95413 1
Li9 Li 1 0.14740 0.06277 0.54588 1
Li10 Li 1 0.14740 0.93722 0.04587 1
Li11 Li 1 0.66962 0.56047 0.78745 1
Li12 Li 1 0.33038 0.56047 0.71255 1
Li13 Li 1 0.33038 0.43953 0.21256 1
Li14 Li 1 0.00000 0.82052 0.25000 1
Li15 Li 1 0.00000 0.17949 0.75000 1
Li16 Li 1 0.66962 0.43953 0.28745 1
Li17 Li 1 0.85260 0.93723 0.45412 1
Li18 Li 1 0.17208 0.75758 0.79463 1
Li19 Li 1 0.65397 0.74307 0.04783 1
Li20 Li 1 0.50000 0.68947 0.25000 1
B1 B 1 0.50000 0.65856 0.75000 1
B2 B 1 0.34484 0.42816 0.45735 1
B3 B 1 0.65515 0.42816 0.04265 1
B4 B 1 0.65516 0.57183 0.54265 1
B5 B 1 0.00000 0.18067 0.25000 1
B6 B 1 0.67611 0.24421 0.79962 1
B7 B 1 0.32388 0.24421 0.70038 1
B8 B 1 0.32389 0.75578 0.20038 1
B9 B 1 0.17472 0.92813 0.30249 1
B10 B 1 0.82528 0.92814 0.19751 1
B11 B 1 0.82528 0.07186 0.69751 1
B12 B 1 0.15890 0.25396 0.05190 1
B13 B 1 0.84110 0.25397 0.44811 1
B14 B 1 0.84110 0.74604 0.94810 1
B15 B 1 0.15889 0.74603 0.55189 1
B16 B 1 0.17472 0.07186 0.80249 1
B17 B 1 0.67611 0.75579 0.29962 1
B18 B 1 0.00000 0.81933 0.75000 1
B19 B 1 0.34485 0.57184 0.95735 1
B20 B 1 0.50000 0.34144 0.25000 1
C1 C 1 0.35199 0.57256 0.45490 1
C2 C 1 0.64801 0.57256 0.04511 1
C3 C 1 0.64801 0.42744 0.54511 1
C4 C 1 0.27916 0.60956 0.41552 1
C5 C 1 0.72084 0.60955 0.08449 1
C6 C 1 0.72084 0.39044 0.58449 1
C7 C 1 0.27938 0.53351 0.41918 1
C8 C 1 0.72062 0.53351 0.08082 1
C9 C 1 0.72062 0.46649 0.58082 1
C10 C 1 0.41313 0.37048 0.59344 1
C11 C 1 0.58687 0.37048 0.90657 1
C12 C 1 0.58687 0.62952 0.40656 1
C13 C 1 0.44515 0.44717 0.56515 1
C14 C 1 0.55485 0.44717 0.93485 1
C15 C 1 0.55485 0.55283 0.43485 1
C16 C 1 0.48432 0.42033 0.63690 1
C17 C 1 0.51568 0.42032 0.86310 1
C18 C 1 0.51568 0.57967 0.36310 1
C19 C 1 0.26886 0.33410 0.38272 1
C20 C 1 0.73114 0.33410 0.11728 1
C21 C 1 0.73114 0.66590 0.61728 1
C22 C 1 0.29002 0.37569 0.48462 1
C23 C 1 0.70998 0.37568 0.01538 1
C24 C 1 0.70998 0.62431 0.51538 1
C25 C 1 0.24744 0.32963 0.44591 1
C26 C 1 0.75256 0.32963 0.05409 1
C27 C 1 0.75256 0.67037 0.55409 1
C28 C 1 0.66667 0.38762 0.77648 1
C29 C 1 0.33333 0.38762 0.72352 1
C30 C 1 0.33333 0.61238 0.22352 1
C31 C 1 0.73781 0.42838 0.88212 1
C32 C 1 0.26219 0.42838 0.61788 1
C33 C 1 0.26219 0.57162 0.11788 1
C34 C 1 0.73964 0.35234 0.88712 1
C35 C 1 0.26036 0.35234 0.61288 1
C36 C 1 0.26036 0.64766 0.11288 1
C37 C 1 0.74429 0.15569 0.62869 1
C38 C 1 0.25571 0.15569 0.87131 1
C39 C 1 0.25571 0.84431 0.37131 1
C40 C 1 0.77149 0.14724 0.57141 1
C41 C 1 0.22851 0.14723 0.92859 1
C42 C 1 0.22851 0.85276 0.42859 1
C43 C 1 0.72774 0.19118 0.53055 1
C44 C 1 0.27226 0.19118 0.96945 1
C45 C 1 0.27226 0.80882 0.46945 1
C46 C 1 0.33115 0.44406 0.33815 1
C47 C 1 0.66885 0.44406 0.16185 1
C48 C 1 0.66884 0.55594 0.66185 1
C49 C 1 0.36677 0.34452 0.34331 1
C50 C 1 0.63323 0.34452 0.15670 1
C51 C 1 0.63323 0.65548 0.65669 1
C52 C 1 0.37236 0.34359 0.40460 1
C53 C 1 0.62765 0.34359 0.09541 1
C54 C 1 0.62764 0.65640 0.59540 1
C55 C 1 0.56851 0.62012 0.74429 1
C56 C 1 0.43149 0.62012 0.75572 1
C57 C 1 0.43149 0.37988 0.25572 1
C58 C 1 0.60210 0.52294 0.81359 1
C59 C 1 0.39790 0.52294 0.68642 1
C60 C 1 0.39790 0.47706 0.18642 1
C61 C 1 0.56312 0.54595 0.80933 1
C62 C 1 0.43688 0.54595 0.69068 1
C63 C 1 0.43688 0.45405 0.19067 1
C64 C 1 0.67101 0.25936 0.68817 1
C65 C 1 0.32898 0.25936 0.81182 1
C66 C 1 0.32899 0.74064 0.31183 1
C67 C 1 0.57308 0.30268 0.39052 1
C68 C 1 0.42691 0.30268 0.10947 1
C69 C 1 0.42692 0.69732 0.60948 1
C70 C 1 0.59524 0.28076 0.77887 1
C71 C 1 0.40476 0.28076 0.72113 1
C72 C 1 0.40476 0.71924 0.22113 1
C73 C 1 0.85323 0.65548 0.82462 1
C74 C 1 0.14677 0.65548 0.67538 1
C75 C 1 0.14678 0.34452 0.17539 1
C76 C 1 0.85409 0.65174 0.88147 1
C77 C 1 0.14590 0.65173 0.61852 1
C78 C 1 0.14591 0.34826 0.11853 1
C79 C 1 0.42963 0.82450 0.21494 1
C80 C 1 0.57037 0.82451 0.28506 1
C81 C 1 0.57037 0.17549 0.78507 1
C82 C 1 0.38570 0.83707 0.20199 1
C83 C 1 0.61430 0.83708 0.29800 1
C84 C 1 0.61430 0.16292 0.79801 1
C85 C 1 0.02871 0.69883 0.36413 1
C86 C 1 0.97129 0.69883 0.13586 1
C87 C 1 0.97129 0.30117 0.63586 1
C88 C 1 0.06726 0.68498 0.44009 1
C89 C 1 0.93274 0.68499 0.05990 1
C90 C 1 0.93274 0.31502 0.55991 1
C91 C 1 0.85320 0.88849 0.94953 1
C92 C 1 0.14680 0.88848 0.55047 1
C93 C 1 0.14680 0.11151 0.05047 1
C94 C 1 0.78035 0.85618 0.91667 1
C95 C 1 0.21964 0.85617 0.58333 1
C96 C 1 0.21964 0.14382 0.08333 1
C97 C 1 0.78433 0.93216 0.91866 1
C98 C 1 0.21566 0.93216 0.58134 1
C99 C 1 0.21567 0.06784 0.08134 1
C100 C 1 0.92868 0.13825 0.10935 1
C101 C 1 0.07132 0.13825 0.39066 1
C102 C 1 0.07132 0.86175 0.89065 1
C103 C 1 0.96533 0.04537 0.10699 1
C104 C 1 0.03467 0.04537 0.39301 1
C105 C 1 0.03467 0.95463 0.89300 1
C106 C 1 0.99957 0.07084 0.18001 1
C107 C 1 0.00043 0.07084 0.32000 1
C108 C 1 0.00043 0.92916 0.81999 1
C109 C 1 0.75709 0.15966 0.86558 1
C110 C 1 0.24291 0.15965 0.63442 1
C111 C 1 0.24291 0.84034 0.13442 1
C112 C 1 0.78236 0.13923 0.97284 1
C113 C 1 0.21764 0.13923 0.52716 1
C114 C 1 0.21764 0.86077 0.02716 1
C115 C 1 0.73770 0.18114 0.93182 1
C116 C 1 0.26230 0.18114 0.56818 1
C117 C 1 0.26230 0.81886 0.06818 1
C118 C 1 0.16550 0.07072 0.28601 1
C119 C 1 0.83450 0.07072 0.21399 1
C120 C 1 0.83450 0.92928 0.71399 1
C121 C 1 0.24502 0.03352 0.38177 1
C122 C 1 0.75498 0.03353 0.11823 1
C123 C 1 0.75498 0.96648 0.61823 1
C124 C 1 0.24318 0.10965 0.37792 1
C125 C 1 0.75682 0.10966 0.12208 1
C126 C 1 0.75682 0.89035 0.62209 1
C127 C 1 0.24056 0.33890 0.12952 1
C128 C 1 0.75945 0.33891 0.37048 1
C129 C 1 0.75944 0.66109 0.87048 1
C130 C 1 0.24903 0.36085 0.05238 1
C131 C 1 0.75098 0.36086 0.44762 1
C132 C 1 0.75097 0.63915 0.94762 1
C133 C 1 0.20524 0.31749 0.01476 1
C134 C 1 0.79476 0.31750 0.48525 1
C135 C 1 0.79476 0.68251 0.98524 1
C136 C 1 0.84081 0.05388 0.81766 1
C137 C 1 0.15920 0.05387 0.68235 1
C138 C 1 0.15919 0.94612 0.18234 1
C139 C 1 0.85501 0.16604 0.80154 1
C140 C 1 0.14499 0.16604 0.69846 1
C141 C 1 0.14499 0.83396 0.19846 1
C142 C 1 0.86332 0.16321 0.86519 1
C143 C 1 0.13668 0.16320 0.63481 1
C144 C 1 0.13668 0.83679 0.13481 1
C145 C 1 0.08559 0.87931 0.25367 1
C146 C 1 0.91441 0.87931 0.24633 1
C147 C 1 0.91441 0.12069 0.74634 1
C148 C 1 0.12544 0.96354 0.34193 1
C149 C 1 0.87456 0.96355 0.15807 1
C150 C 1 0.87456 0.03646 0.65807 1
C151 C 1 0.08156 0.93935 0.32510 1
C152 C 1 0.91844 0.93935 0.17490 1
C153 C 1 0.91844 0.06065 0.67490 1
C154 C 1 0.16268 0.23504 0.16141 1
C155 C 1 0.83732 0.23505 0.33860 1
C156 C 1 0.83732 0.76496 0.83859 1
C157 C 1 0.08802 0.21931 0.91072 1
C158 C 1 0.91198 0.21931 0.58929 1
C159 C 1 0.91198 0.78069 0.08928 1
C160 C 1 0.07303 0.21610 0.25392 1
C161 C 1 0.92698 0.21610 0.24609 1
C162 C 1 0.92697 0.78390 0.74607 1
C163 C 1 0.36648 0.83996 0.31642 1
C164 C 1 0.63352 0.83996 0.18358 1
C165 C 1 0.63352 0.16004 0.68359 1
C166 C 1 0.36963 0.83963 0.37548 1
C167 C 1 0.63038 0.83964 0.12452 1
C168 C 1 0.63037 0.16037 0.62452 1
C169 C 1 0.93677 0.70597 0.68837 1
C170 C 1 0.06323 0.70597 0.81163 1
C171 C 1 0.06323 0.29403 0.31163 1
C172 C 1 0.89511 0.68533 0.67880 1
C173 C 1 0.10489 0.68533 0.82119 1
C174 C 1 0.10489 0.31467 0.32120 1
C175 C 1 0.50524 0.77065 0.82282 1
C176 C 1 0.49476 0.77066 0.67720 1
C177 C 1 0.49476 0.22935 0.17718 1
C178 C 1 0.54078 0.79386 0.89660 1
C179 C 1 0.45922 0.79386 0.60342 1
C180 C 1 0.45921 0.20614 0.10340 1
C181 C 1 0.54078 0.20614 0.39659 1
C182 C 1 0.50523 0.22934 0.32281 1
C183 C 1 0.89511 0.31467 0.17881 1
C184 C 1 0.93677 0.29403 0.18837 1
C185 C 1 0.36962 0.16037 0.87548 1
C186 C 1 0.36648 0.16004 0.81642 1
C187 C 1 0.07302 0.78390 0.75391 1
C188 C 1 0.08802 0.78069 0.41071 1
C189 C 1 0.16268 0.76495 0.66140 1
C190 C 1 0.08156 0.06065 0.82510 1
C191 C 1 0.12544 0.03645 0.84193 1
C192 C 1 0.08559 0.12069 0.75366 1
C193 C 1 0.86332 0.83680 0.36519 1
C194 C 1 0.85501 0.83396 0.30154 1
C195 C 1 0.84080 0.94612 0.31765 1
C196 C 1 0.20524 0.68250 0.51476 1
C197 C 1 0.24903 0.63915 0.55238 1
C198 C 1 0.24055 0.66109 0.62952 1
C199 C 1 0.24318 0.89034 0.87791 1
C200 C 1 0.24502 0.96647 0.88177 1
C201 C 1 0.16550 0.92928 0.78601 1
C202 C 1 0.73770 0.81887 0.43182 1
C203 C 1 0.78236 0.86077 0.47284 1
C204 C 1 0.75709 0.84035 0.36558 1
C205 C 1 0.99957 0.92916 0.68000 1
C206 C 1 0.96533 0.95463 0.60699 1
C207 C 1 0.92868 0.86175 0.60934 1
C208 C 1 0.78433 0.06784 0.41866 1
C209 C 1 0.78036 0.14383 0.41667 1
C210 C 1 0.85320 0.11152 0.44953 1
C211 C 1 0.06726 0.31501 0.94010 1
C212 C 1 0.02871 0.30117 0.86414 1
C213 C 1 0.38570 0.16292 0.70200 1
C214 C 1 0.42963 0.17549 0.71494 1
C215 C 1 0.85410 0.34827 0.38148 1
C216 C 1 0.85323 0.34452 0.32462 1
C217 C 1 0.59524 0.71924 0.27887 1
C218 C 1 0.57308 0.69731 0.89053 1
C219 C 1 0.67102 0.74064 0.18818 1
C220 C 1 0.56312 0.45405 0.30933 1
C221 C 1 0.60210 0.47706 0.31359 1
C222 C 1 0.56851 0.37988 0.24428 1
C223 C 1 0.37236 0.65641 0.90460 1
C224 C 1 0.36677 0.65548 0.84330 1
C225 C 1 0.33115 0.55594 0.83815 1
C226 C 1 0.72774 0.80882 0.03055 1
C227 C 1 0.77149 0.85277 0.07141 1
C228 C 1 0.74429 0.84431 0.12869 1
C229 C 1 0.73964 0.64766 0.38712 1
C230 C 1 0.73781 0.57162 0.38212 1
C231 C 1 0.66667 0.61238 0.27648 1
C232 C 1 0.24744 0.67037 0.94591 1
C233 C 1 0.29002 0.62432 0.98463 1
C234 C 1 0.26886 0.66590 0.88272 1
C235 C 1 0.48432 0.57968 0.13690 1
C236 C 1 0.44515 0.55283 0.06515 1
C237 C 1 0.41313 0.62952 0.09344 1
C238 C 1 0.27938 0.46649 0.91918 1
C239 C 1 0.27916 0.39045 0.91551 1
C240 C 1 0.35199 0.42745 0.95490 1
N1 N 1 0.65378 0.22307 0.62743 1
N2 N 1 0.34622 0.22307 0.87256 1
N3 N 1 0.34622 0.77693 0.37257 1
N4 N 1 0.32490 0.63380 0.43794 1
N5 N 1 0.67510 0.63380 0.06207 1
N6 N 1 0.67510 0.36619 0.56206 1
N7 N 1 0.32640 0.50970 0.44484 1
N8 N 1 0.67359 0.50969 0.05517 1
N9 N 1 0.67360 0.49030 0.55516 1
N10 N 1 0.39924 0.41566 0.53743 1
N11 N 1 0.60076 0.41565 0.96257 1
N12 N 1 0.60076 0.58434 0.46257 1
N13 N 1 0.46394 0.37205 0.65440 1
N14 N 1 0.53606 0.37204 0.84561 1
N15 N 1 0.53606 0.62795 0.34560 1
N16 N 1 0.30397 0.37799 0.44405 1
N17 N 1 0.69602 0.37799 0.05595 1
N18 N 1 0.69603 0.62201 0.55595 1
N19 N 1 0.23434 0.30373 0.38193 1
N20 N 1 0.76566 0.30373 0.11807 1
N21 N 1 0.76566 0.69627 0.61807 1
N22 N 1 0.63033 0.23084 0.79413 1
N23 N 1 0.36967 0.23084 0.70587 1
N24 N 1 0.36967 0.76916 0.20587 1
N25 N 1 0.69385 0.32610 0.81923 1
N26 N 1 0.30615 0.32610 0.68077 1
N27 N 1 0.30615 0.67389 0.18077 1
N28 N 1 0.69184 0.45031 0.81247 1
N29 N 1 0.30816 0.45031 0.68753 1
N30 N 1 0.30816 0.54969 0.18753 1
N31 N 1 0.78215 0.12483 0.63470 1
N32 N 1 0.21785 0.12482 0.86530 1
N33 N 1 0.21785 0.87517 0.36530 1
N34 N 1 0.71084 0.19632 0.56687 1
N35 N 1 0.28916 0.19632 0.93313 1
N36 N 1 0.28916 0.80368 0.43313 1
N37 N 1 0.34110 0.40792 0.30196 1
N38 N 1 0.65890 0.40792 0.19804 1
N39 N 1 0.65890 0.59208 0.69804 1
N40 N 1 0.34949 0.40768 0.40115 1
N41 N 1 0.65051 0.40768 0.09885 1
N42 N 1 0.65051 0.59232 0.59885 1
N43 N 1 0.60538 0.56967 0.77265 1
N44 N 1 0.39462 0.56967 0.72736 1
N45 N 1 0.39462 0.43033 0.22735 1
N46 N 1 0.54153 0.60844 0.76459 1
N47 N 1 0.45847 0.60844 0.73541 1
N48 N 1 0.45847 0.39156 0.23541 1
N49 N 1 0.52619 0.29151 0.31916 1
N50 N 1 0.47380 0.29151 0.18084 1
N51 N 1 0.47380 0.70849 0.68085 1
N52 N 1 0.65952 0.22387 0.72440 1
N53 N 1 0.34048 0.22387 0.77560 1
N54 N 1 0.34049 0.77613 0.27560 1
N55 N 1 0.55859 0.24972 0.77315 1
N56 N 1 0.44141 0.24972 0.72685 1
N57 N 1 0.44141 0.75028 0.22685 1
N58 N 1 0.58333 0.25239 0.43886 1
N59 N 1 0.41667 0.25240 0.06113 1
N60 N 1 0.41667 0.74761 0.56114 1
N61 N 1 0.15574 0.27762 0.10916 1
N62 N 1 0.84426 0.27762 0.39085 1
N63 N 1 0.84426 0.72238 0.89084 1
N64 N 1 0.82463 0.82818 0.93643 1
N65 N 1 0.17537 0.82817 0.56357 1
N66 N 1 0.17537 0.17182 0.06357 1
N67 N 1 0.83021 0.95224 0.93923 1
N68 N 1 0.16979 0.95224 0.56077 1
N69 N 1 0.16979 0.04775 0.06077 1
N70 N 1 0.92070 0.08755 0.06292 1
N71 N 1 0.07930 0.08755 0.43709 1
N72 N 1 0.07930 0.91245 0.93708 1
N73 N 1 0.97593 0.13074 0.18133 1
N74 N 1 0.02407 0.13074 0.31868 1
N75 N 1 0.02406 0.86926 0.81867 1
N76 N 1 0.79431 0.12574 0.93088 1
N77 N 1 0.20569 0.12574 0.56913 1
N78 N 1 0.20569 0.87426 0.06913 1
N79 N 1 0.72150 0.19394 0.86277 1
N80 N 1 0.27850 0.19394 0.63723 1
N81 N 1 0.27850 0.80606 0.13723 1
N82 N 1 0.11100 0.26522 0.28504 1
N83 N 1 0.88901 0.26522 0.21498 1
N84 N 1 0.88901 0.73478 0.71496 1
N85 N 1 0.19303 0.13279 0.31755 1
N86 N 1 0.80697 0.13279 0.18245 1
N87 N 1 0.80697 0.86721 0.68245 1
N88 N 1 0.19501 0.00867 0.32254 1
N89 N 1 0.80499 0.00867 0.17745 1
N90 N 1 0.80499 0.99133 0.67746 1
N91 N 1 0.27093 0.37436 0.12448 1
N92 N 1 0.72907 0.37436 0.37552 1
N93 N 1 0.72907 0.62564 0.87552 1
N94 N 1 0.19980 0.30375 0.06443 1
N95 N 1 0.80021 0.30376 0.43557 1
N96 N 1 0.80020 0.69625 0.93557 1
N97 N 1 0.84086 0.09550 0.77128 1
N98 N 1 0.15914 0.09550 0.72872 1
N99 N 1 0.15914 0.90450 0.22872 1
N100 N 1 0.85418 0.09260 0.87491 1
N101 N 1 0.14582 0.09260 0.62509 1
N102 N 1 0.14581 0.90740 0.12509 1
N103 N 1 0.12789 0.92511 0.29569 1
N104 N 1 0.87212 0.92512 0.20431 1
N105 N 1 0.87212 0.07489 0.70431 1
N106 N 1 0.05663 0.88634 0.26951 1
N107 N 1 0.94337 0.88634 0.23049 1
N108 N 1 0.94337 0.11367 0.73049 1
N109 N 1 0.04191 0.24085 0.84598 1
N110 N 1 0.95809 0.24086 0.65402 1
N111 N 1 0.95809 0.75915 0.15402 1
N112 N 1 0.15755 0.27325 0.20231 1
N113 N 1 0.84245 0.27325 0.29770 1
N114 N 1 0.84245 0.72675 0.79769 1
N115 N 1 0.04274 0.23062 0.26809 1
N116 N 1 0.95726 0.23062 0.23192 1
N117 N 1 0.95726 0.76938 0.73191 1
N118 N 1 0.10530 0.26201 0.97010 1
N119 N 1 0.89470 0.26202 0.52990 1
N120 N 1 0.89470 0.73799 0.02990 1
N121 N 1 0.10530 0.73798 0.47010 1
N122 N 1 0.04274 0.76938 0.76808 1
N123 N 1 0.15755 0.72674 0.70230 1
N124 N 1 0.04191 0.75914 0.34598 1
N125 N 1 0.05663 0.11366 0.76951 1
N126 N 1 0.12788 0.07488 0.79569 1
N127 N 1 0.85418 0.90740 0.37491 1
N128 N 1 0.84086 0.90450 0.27128 1
N129 N 1 0.19979 0.69624 0.56443 1
N130 N 1 0.27093 0.62564 0.62448 1
N131 N 1 0.19501 0.99133 0.82254 1
N132 N 1 0.19303 0.86721 0.81755 1
N133 N 1 0.11099 0.73478 0.78502 1
N134 N 1 0.72150 0.80606 0.36277 1
N135 N 1 0.79431 0.87427 0.43087 1
N136 N 1 0.97593 0.86926 0.68132 1
N137 N 1 0.92070 0.91245 0.56292 1
N138 N 1 0.83021 0.04776 0.43923 1
N139 N 1 0.82463 0.17183 0.43644 1
N140 N 1 0.15574 0.72238 0.60915 1
N141 N 1 0.58333 0.74760 0.93887 1
N142 N 1 0.55859 0.75028 0.27315 1
N143 N 1 0.65952 0.77613 0.22440 1
N144 N 1 0.52620 0.70849 0.81917 1
N145 N 1 0.54152 0.39156 0.26459 1
N146 N 1 0.60538 0.43033 0.27264 1
N147 N 1 0.34949 0.59232 0.90115 1
N148 N 1 0.34110 0.59208 0.80196 1
N149 N 1 0.71084 0.80368 0.06687 1
N150 N 1 0.78215 0.87518 0.13470 1
N151 N 1 0.69184 0.54969 0.31247 1
N152 N 1 0.69385 0.67390 0.31923 1
N153 N 1 0.63033 0.76916 0.29413 1
N154 N 1 0.23434 0.69627 0.88193 1
N155 N 1 0.30398 0.62201 0.94405 1
N156 N 1 0.46395 0.62796 0.15440 1
N157 N 1 0.39924 0.58434 0.03743 1
N158 N 1 0.32640 0.49031 0.94484 1
N159 N 1 0.32490 0.36620 0.93793 1
N160 N 1 0.65378 0.77694 0.12744 1
#End of data

data_zni
_audit_creation_date                2010-03-03
_audit_creation_method              'Igor Baburin'
_chemical_formula_moiety
;
zni/H-H 2.23/Li-N 2.09-2.13
;
_chemical_formula_sum               'B1 C12 H12 Li1 N8'
_citation_special_details
;
File: BIF_zni.cif. 
;
_cell_length_a                      17.2329
_cell_length_b                      17.2329
_cell_length_c                      17.2237
_cell_angle_alpha                   96.56
_cell_angle_beta                    96.55
_cell_angle_gamma                   140.48
_cell_volume                        3063.732
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'P 1'
_symmetry_Int_Tables_number         1
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H1 H 1 0.62999 0.94899 0.52220 1
H2 H 1 0.52663 0.94105 0.37986 1
H3 H 1 0.25009 0.56487 0.39485 1
H4 H 1 0.41893 0.52393 0.46154 1
H5 H 1 0.16874 0.26885 0.40958 1
H6 H 1 0.18447 0.49420 0.56019 1
H7 H 1 0.39157 0.63723 0.70487 1
H8 H 1 0.35887 0.75063 0.79407 1
H9 H 1 0.43775 0.86518 0.58126 1
H10 H 1 0.60575 0.74880 0.46399 1
H11 H 1 0.83376 0.87066 0.56325 1
H12 H 1 0.63473 0.82897 0.71573 1
H13 H 1 0.11461 0.92034 0.28440 1
H14 H 1 0.57994 0.36395 0.69488 1
H15 H 1 0.67054 0.88620 0.30583 1
H16 H 1 0.13620 0.42054 0.80583 1
H17 H 1 0.61396 0.32994 0.19488 1
H18 H 1 0.07897 0.38473 0.21573 1
H19 H 1 0.17034 0.86461 0.78440 1
H20 H 1 0.30957 0.27228 0.43656 1
H21 H 1 0.62192 0.55775 0.53705 1
H22 H 1 0.02218 0.08587 0.46322 1
H23 H 1 0.33587 0.77218 0.96322 1
H24 H 1 0.80775 0.37192 0.03705 1
H25 H 1 0.12066 0.58376 0.06325 1
H26 H 1 0.52228 0.05957 0.93656 1
H27 H 1 0.28561 0.14283 0.53603 1
H28 H 1 0.49854 0.53404 0.64245 1
H29 H 1 0.89337 0.85752 0.35752 1
H30 H 1 0.10751 0.64337 0.85752 1
H31 H 1 0.78404 0.24854 0.14245 1
H32 H 1 0.99880 0.35575 0.96399 1
H33 H 1 0.39283 0.03561 0.03603 1
H34 H 1 0.28406 0.85687 0.41826 1
H35 H 1 0.61576 0.53400 0.92692 1
H36 H 1 0.60649 0.68763 0.07259 1
H37 H 1 0.93763 0.35649 0.57259 1
H38 H 1 0.78401 0.36576 0.42692 1
H39 H 1 0.11517 0.18774 0.08125 1
H40 H 1 0.10687 0.03406 0.91825 1
H41 H 1 0.95553 0.56452 0.20641 1
H42 H 1 0.49930 0.20571 0.89205 1
H43 H 1 0.31501 0.60851 0.10891 1
H44 H 1 0.85851 0.06501 0.60891 1
H45 H 1 0.45572 0.24930 0.39205 1
H46 H 1 0.00064 0.10887 0.29407 1
H47 H 1 0.81452 0.70553 0.70641 1
H48 H 1 0.93265 0.68772 0.29560 1
H49 H 1 0.38555 0.18108 0.74585 1
H50 H 1 0.43897 0.64383 0.25537 1
H51 H 1 0.89382 0.18897 0.75537 1
H52 H 1 0.43108 0.13555 0.24585 1
H53 H 1 0.88724 0.14157 0.20487 1
H54 H 1 0.93772 0.68265 0.79560 1
H55 H 1 0.93482 0.62539 0.44009 1
H56 H 1 0.24337 0.18264 0.80910 1
H57 H 1 0.37534 0.43625 0.19111 1
H58 H 1 0.68625 0.12533 0.69111 1
H59 H 1 0.43265 0.99337 0.30911 1
H60 H 1 0.74420 0.93447 0.06019 1
H61 H 1 0.87539 0.68483 0.94009 1
H62 H 1 0.85984 0.75995 0.59073 1
H63 H 1 0.01824 0.10885 0.59996 1
H64 H 1 0.51047 0.41873 0.39929 1
H65 H 1 0.66873 0.26046 0.89929 1
H66 H 1 0.35884 0.76824 0.09996 1
H67 H 1 0.51885 0.91874 0.90958 1
H68 H 1 0.00995 0.60984 0.09073 1
H69 H 1 0.06343 0.95854 0.53907 1
H70 H 1 0.27349 0.31267 0.60513 1
H71 H 1 0.70910 0.66910 0.39470 1
H72 H 1 0.91909 0.45910 0.89470 1
H73 H 1 0.56267 0.02349 0.10513 1
H74 H 1 0.77393 0.16893 0.96154 1
H75 H 1 0.20854 0.81343 0.03907 1
H76 H 1 0.17175 0.85706 0.60559 1
H77 H 1 0.31509 0.42031 0.81494 1
H78 H 1 0.60708 0.50180 0.18548 1
H79 H 1 0.75180 0.35707 0.68548 1
H80 H 1 0.67032 0.06509 0.31494 1
H81 H 1 0.81487 0.00009 0.89485 1
H82 H 1 0.10706 0.92175 0.10558 1
H83 H 1 0.56231 0.14764 0.61913 1
H84 H 1 0.69181 0.81107 0.91396 1
H85 H 1 0.89751 0.77834 0.08517 1
H86 H 1 0.02833 0.64751 0.58517 1
H87 H 1 0.06108 0.44181 0.41395 1
H88 H 1 0.19105 0.27663 0.87986 1
H89 H 1 0.39765 0.31231 0.11913 1
H90 H 1 0.42705 0.10774 0.47674 1
H91 H 1 0.69875 0.67575 0.81853 1
H92 H 1 0.85858 0.88146 0.18100 1
H93 H 1 0.13146 0.60858 0.68100 1
H94 H 1 0.92575 0.44875 0.31854 1
H95 H 1 0.19899 0.37998 0.02221 1
H96 H 1 0.35775 0.17705 0.97674 1
Li1 Li 1 0.93763 0.98555 0.75950 1
Li2 Li 1 0.22772 0.17961 0.24038 1
Li3 Li 1 0.73696 0.47718 0.54824 1
Li4 Li 1 0.92857 0.18846 0.45200 1
Li5 Li 1 0.43846 0.67857 0.95200 1
Li6 Li 1 0.72718 0.48696 0.04823 1
Li7 Li 1 0.23555 0.68763 0.25950 1
Li8 Li 1 0.42960 0.97772 0.74038 1
B1 B 1 0.44616 0.70175 0.55287 1
B2 B 1 0.14969 0.89436 0.44723 1
B3 B 1 0.45131 0.39832 0.75535 1
B4 B 1 0.64477 0.69759 0.24483 1
B5 B 1 0.94758 0.39476 0.74483 1
B6 B 1 0.64833 0.20132 0.25535 1
B7 B 1 0.95175 0.19615 0.05286 1
B8 B 1 0.14436 0.89969 0.94723 1
C1 C 1 0.53544 0.86857 0.47529 1
C2 C 1 0.48295 0.86267 0.40371 1
C3 C 1 0.33810 0.66875 0.40935 1
C4 C 1 0.33357 0.48029 0.47460 1
C5 C 1 0.20807 0.35313 0.44933 1
C6 C 1 0.21189 0.46533 0.52531 1
C7 C 1 0.39767 0.70226 0.69270 1
C8 C 1 0.38196 0.75994 0.73666 1
C9 C 1 0.42209 0.82068 0.62834 1
C10 C 1 0.64414 0.78095 0.53086 1
C11 C 1 0.75816 0.84278 0.58149 1
C12 C 1 0.65924 0.82348 0.66150 1
C13 C 1 0.16342 0.99914 0.33855 1
C14 C 1 0.57425 0.41239 0.66464 1
C15 C 1 0.74926 0.91077 0.33590 1
C16 C 1 0.16077 0.49925 0.83590 1
C17 C 1 0.66239 0.32425 0.16464 1
C18 C 1 0.07348 0.40923 0.16150 1
C19 C 1 0.24914 0.91342 0.83855 1
C20 C 1 0.26305 0.17824 0.41844 1
C21 C 1 0.59376 0.51158 0.58479 1
C22 C 1 0.92831 0.01006 0.41554 1
C23 C 1 0.26006 0.67830 0.91554 1
C24 C 1 0.76158 0.34376 0.08479 1
C25 C 1 0.09278 0.50815 0.08149 1
C26 C 1 0.42823 0.01304 0.91844 1
C27 C 1 0.25121 0.11455 0.46915 1
C28 C 1 0.53110 0.49972 0.63654 1
C29 C 1 0.86490 0.89591 0.36360 1
C30 C 1 0.14591 0.61489 0.86360 1
C31 C 1 0.74972 0.28110 0.13654 1
C32 C 1 0.03094 0.39414 0.03086 1
C33 C 1 0.36455 0.00121 0.96915 1
C34 C 1 0.19228 0.79406 0.37147 1
C35 C 1 0.57068 0.44210 0.89828 1
C36 C 1 0.54411 0.67229 0.10167 1
C37 C 1 0.92229 0.29411 0.60167 1
C38 C 1 0.69210 0.32068 0.39828 1
C39 C 1 0.07068 0.17208 0.12834 1
C40 C 1 0.04406 0.94228 0.87147 1
C41 C 1 0.02267 0.64532 0.26361 1
C42 C 1 0.50902 0.27259 0.87805 1
C43 C 1 0.39581 0.63212 0.12263 1
C44 C 1 0.88212 0.14581 0.62263 1
C45 C 1 0.52259 0.25902 0.37805 1
C46 C 1 0.00994 0.13196 0.23666 1
C47 C 1 0.89532 0.77267 0.76361 1
C48 C 1 0.00967 0.70573 0.30752 1
C49 C 1 0.45120 0.25868 0.80461 1
C50 C 1 0.45649 0.64911 0.19618 1
C51 C 1 0.89911 0.20649 0.69618 1
C52 C 1 0.50869 0.20120 0.30461 1
C53 C 1 0.95226 0.14767 0.19270 1
C54 C 1 0.95573 0.75967 0.80752 1
C55 C 1 0.94092 0.68772 0.47500 1
C56 C 1 0.21470 0.18910 0.75300 1
C57 C 1 0.43784 0.46333 0.24703 1
C58 C 1 0.71333 0.18784 0.74703 1
C59 C 1 0.43910 0.96470 0.25300 1
C60 C 1 0.71534 0.96188 0.02531 1
C61 C 1 0.93773 0.69093 0.97500 1
C62 C 1 0.90456 0.75971 0.55101 1
C63 C 1 0.10258 0.15336 0.64486 1
C64 C 1 0.51013 0.45857 0.35470 1
C65 C 1 0.70857 0.26013 0.85470 1
C66 C 1 0.40336 0.85258 0.14486 1
C67 C 1 0.60313 0.95806 0.94933 1
C68 C 1 0.00970 0.65456 0.05101 1
C69 C 1 0.00664 0.86008 0.52586 1
C70 C 1 0.22981 0.25553 0.64664 1
C71 C 1 0.61053 0.58415 0.35316 1
C72 C 1 0.83415 0.36053 0.85316 1
C73 C 1 0.50552 0.97980 0.14664 1
C74 C 1 0.73029 0.08356 0.97460 1
C75 C 1 0.11008 0.75663 0.02586 1
C76 C 1 0.26084 0.93021 0.59066 1
C77 C 1 0.41901 0.50947 0.83063 1
C78 C 1 0.68027 0.58979 0.16948 1
C79 C 1 0.83978 0.43026 0.66948 1
C80 C 1 0.75947 0.16902 0.33062 1
C81 C 1 0.91875 0.08810 0.90934 1
C82 C 1 0.18021 0.01084 0.09066 1
C83 C 1 0.46007 0.08013 0.59553 1
C84 C 1 0.61319 0.70878 0.87942 1
C85 C 1 0.83013 0.73458 0.12000 1
C86 C 1 0.98458 0.58013 0.62001 1
C87 C 1 0.95878 0.36319 0.37942 1
C88 C 1 0.11267 0.23294 0.90371 1
C89 C 1 0.33014 0.21007 0.09553 1
C90 C 1 0.39400 0.06067 0.52398 1
C91 C 1 0.61858 0.64267 0.83276 1
C92 C 1 0.81114 0.78700 0.16684 1
C93 C 1 0.03700 0.56113 0.66684 1
C94 C 1 0.89268 0.36858 0.33276 1
C95 C 1 0.11857 0.28544 0.97529 1
C96 C 1 0.31068 0.14400 0.02398 1
N1 N 1 0.35893 0.73679 0.36226 1
N2 N 1 0.44182 0.74356 0.47875 1
N3 N 1 0.13180 0.34402 0.48139 1
N4 N 1 0.33594 0.55242 0.52371 1
N5 N 1 0.39784 0.83460 0.69607 1
N6 N 1 0.42356 0.74157 0.62299 1
N7 N 1 0.58059 0.76846 0.58239 1
N8 N 1 0.76755 0.86978 0.66368 1
N9 N 1 0.20804 0.10550 0.33628 1
N10 N 1 0.62115 0.45689 0.60283 1
N11 N 1 0.85543 0.01928 0.39775 1
N12 N 1 0.26928 0.60543 0.89775 1
N13 N 1 0.70688 0.37115 0.10283 1
N14 N 1 0.11978 0.51755 0.16368 1
N15 N 1 0.35550 0.95803 0.83628 1
N16 N 1 0.18696 0.99934 0.41770 1
N17 N 1 0.51838 0.43569 0.68772 1
N18 N 1 0.74970 0.83208 0.31253 1
N19 N 1 0.08207 0.49970 0.81253 1
N20 N 1 0.68569 0.26838 0.18772 1
N21 N 1 0.01846 0.33059 0.08239 1
N22 N 1 0.24934 0.93696 0.91770 1
N23 N 1 0.11902 0.80150 0.37695 1
N24 N 1 0.49106 0.36798 0.81779 1
N25 N 1 0.55195 0.67498 0.18254 1
N26 N 1 0.92498 0.30195 0.68254 1
N27 N 1 0.61798 0.24106 0.31779 1
N28 N 1 0.99157 0.17356 0.12299 1
N29 N 1 0.05150 0.86902 0.87695 1
N30 N 1 0.13780 0.70151 0.30396 1
N31 N 1 0.58433 0.38823 0.93661 1
N32 N 1 0.45159 0.64726 0.06354 1
N33 N 1 0.89726 0.20159 0.56354 1
N34 N 1 0.63823 0.33434 0.43661 1
N35 N 1 0.08460 0.14784 0.19607 1
N36 N 1 0.95151 0.88781 0.80396 1
N37 N 1 0.02976 0.81346 0.47673 1
N38 N 1 0.30192 0.27826 0.71624 1
N39 N 1 0.56374 0.58716 0.28387 1
N40 N 1 0.83716 0.31374 0.78387 1
N41 N 1 0.52826 0.05192 0.21624 1
N42 N 1 0.80242 0.08594 0.02370 1
N43 N 1 0.06346 0.77976 0.97673 1
N44 N 1 0.86336 0.65141 0.51886 1
N45 N 1 0.09339 0.11173 0.71178 1
N46 N 1 0.40164 0.38288 0.28793 1
N47 N 1 0.63288 0.15163 0.78794 1
N48 N 1 0.36173 0.84339 0.21179 1
N49 N 1 0.59402 0.88180 0.98139 1
N50 N 1 0.90141 0.61336 0.01886 1
N51 N 1 0.26576 0.96398 0.52104 1
N52 N 1 0.49340 0.51436 0.80155 1
N53 N 1 0.71445 0.69339 0.19848 1
N54 N 1 0.94339 0.46445 0.69848 1
N55 N 1 0.76437 0.24340 0.30155 1
N56 N 1 0.99356 0.19182 0.97875 1
N57 N 1 0.21398 0.01576 0.02104 1
N58 N 1 0.37608 0.99814 0.63744 1
N59 N 1 0.48746 0.62477 0.87777 1
N60 N 1 0.74790 0.61066 0.12197 1
N61 N 1 0.86066 0.49790 0.62198 1
N62 N 1 0.87477 0.23746 0.37776 1
N63 N 1 0.98680 0.10893 0.86226 1
N64 N 1 0.24815 0.12608 0.13744 1
#End of data


