# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1
_database_code_depnum_ccdc_archive 'CCDC 2195171'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   13.64760
_cell_length_b                   13.64760
_cell_length_c                   15.01510
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.17890
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.873455 0.486771 0.735976 Biso 1.000000 Al
Al2 1.0 0.473450 0.113462 0.519265 Biso 1.000000 Al
Al3 1.0 0.582328 0.269018 0.598066 Biso 1.000000 Al
Al4 1.0 0.705267 0.383723 0.666849 Biso 1.000000 Al
O1 1.0 0.928895 0.259069 0.229941 Biso 1.000000 O
O2 1.0 0.947294 0.222659 0.725187 Biso 1.000000 O
O3 1.0 0.179682 0.037140 0.205316 Biso 1.000000 O
O4 1.0 0.172111 0.047936 0.716161 Biso 1.000000 O
O5 1.0 0.361324 0.116124 0.473455 Biso 1.000000 O
O6 1.0 0.343684 0.073701 0.015674 Biso 1.000000 O
O7 1.0 0.547469 0.228376 0.482624 Biso 1.000000 O
O8 1.0 0.510193 0.193205 0.978914 Biso 1.000000 O
O9 1.0 0.325602 0.410565 0.471528 Biso 1.000000 O
O10 1.0 0.330175 0.429550 0.973533 Biso 1.000000 O
O11 1.0 0.116011 0.332323 0.257621 Biso 1.000000 O
O12 1.0 0.122796 0.320607 0.760340 Biso 1.000000 O
O13 1.0 0.694295 0.024084 0.043618 Biso 1.000000 O
O14 1.0 0.715010 0.970265 0.550397 Biso 1.000000 O
O15 1.0 0.922546 0.797114 0.039344 Biso 1.000000 O
O16 1.0 0.917277 0.804281 0.536289 Biso 1.000000 O
O17 1.0 0.909449 0.620513 0.238744 Biso 1.000000 O
O18 1.0 0.892385 0.605932 0.768945 Biso 1.000000 O
O19 1.0 0.786170 0.457405 0.279575 Biso 1.000000 O
O20 1.0 0.754304 0.424386 0.777973 Biso 1.000000 O
O21 1.0 0.559042 0.668263 0.292421 Biso 1.000000 O
O22 1.0 0.585231 0.660618 0.789447 Biso 1.000000 O
O23 1.0 0.608832 0.845437 0.994368 Biso 1.000000 O
O24 1.0 0.577162 0.836284 0.485269 Biso 1.000000 O
O25 1.0 0.530390 0.174165 0.309991 Biso 1.000000 O
O26 1.0 0.527617 0.186383 0.802576 Biso 1.000000 O
O27 1.0 0.298349 0.403716 0.296213 Biso 1.000000 O
O28 1.0 0.301234 0.408932 0.797977 Biso 1.000000 O
O29 1.0 0.140126 0.365971 0.980223 Biso 1.000000 O
O30 1.0 0.131171 0.392964 0.494633 Biso 1.000000 O
O31 1.0 0.978412 0.276416 0.059142 Biso 1.000000 O
O32 1.0 0.969601 0.278750 0.555954 Biso 1.000000 O
O33 1.0 0.150456 0.075070 0.031778 Biso 1.000000 O
O34 1.0 0.189607 0.043337 0.537672 Biso 1.000000 O
O35 1.0 0.358119 0.070032 0.270833 Biso 1.000000 O
O36 1.0 0.363435 0.068426 0.752274 Biso 1.000000 O
O37 1.0 0.775310 0.437430 0.456453 Biso 1.000000 O
O38 1.0 0.793941 0.436008 0.951928 Biso 1.000000 O
O39 1.0 0.550696 0.643454 0.469918 Biso 1.000000 O
O40 1.0 0.553897 0.655910 0.964384 Biso 1.000000 O
O41 1.0 0.637386 0.849336 0.252160 Biso 1.000000 O
O42 1.0 0.627529 0.850695 0.755314 Biso 1.000000 O
O43 1.0 0.718524 0.031642 0.220045 Biso 1.000000 O
O44 1.0 0.727984 0.028631 0.720620 Biso 1.000000 O
O45 1.0 0.920393 0.813926 0.217337 Biso 1.000000 O
O46 1.0 0.951813 0.786817 0.711680 Biso 1.000000 O
O47 1.0 0.861037 0.614555 0.513697 Biso 1.000000 O
O48 1.0 0.891605 0.613450 0.985485 Biso 1.000000 O
O49 1.0 0.031088 0.129869 0.156617 Biso 1.000000 O
O50 1.0 0.042931 0.120760 0.611198 Biso 1.000000 O
O51 1.0 0.448947 0.327193 0.367204 Biso 1.000000 O
O52 1.0 0.448005 0.332261 0.876542 Biso 1.000000 O
O53 1.0 0.835735 0.937623 0.116728 Biso 1.000000 O
O54 1.0 0.864348 0.935425 0.652089 Biso 1.000000 O
O55 1.0 0.643118 0.526420 0.369494 Biso 1.000000 O
O56 1.0 0.642704 0.516592 0.887457 Biso 1.000000 O
O57 1.0 0.982017 0.329491 0.387059 Biso 1.000000 O
O58 1.0 0.984033 0.295525 0.885074 Biso 1.000000 O
O59 1.0 0.204489 0.108176 0.369840 Biso 1.000000 O
O60 1.0 0.232602 0.110145 0.875306 Biso 1.000000 O
O61 1.0 0.483723 0.124085 0.139486 Biso 1.000000 O
O62 1.0 0.491402 0.161293 0.632715 Biso 1.000000 O
O63 1.0 0.247494 0.377633 0.128702 Biso 1.000000 O
O64 1.0 0.251161 0.375591 0.630276 Biso 1.000000 O
O65 1.0 0.664824 0.981627 0.382809 Biso 1.000000 O
O66 1.0 0.644013 0.991759 0.877267 Biso 1.000000 O
O67 1.0 0.878945 0.737063 0.374849 Biso 1.000000 O
O68 1.0 0.870779 0.759465 0.872325 Biso 1.000000 O
O69 1.0 0.851390 0.482609 0.116741 Biso 1.000000 O
O70 1.0 0.814406 0.466796 0.626436 Biso 1.000000 O
O71 1.0 0.602286 0.714319 0.126259 Biso 1.000000 O
O72 1.0 0.604258 0.720024 0.624257 Biso 1.000000 O
O73 1.0 0.977995 0.451957 0.248400 Biso 1.000000 O
O74 1.0 0.968072 0.418585 0.749225 Biso 1.000000 O
O75 1.0 0.506917 0.998085 1.003354 Biso 1.000000 O
O76 1.0 0.534633 0.014696 0.508035 Biso 1.000000 O
O77 1.0 0.525417 0.990932 0.257764 Biso 1.000000 O
O78 1.0 0.533803 1.006990 0.732745 Biso 1.000000 O
O79 1.0 0.982778 0.455298 0.990191 Biso 1.000000 O
O80 1.0 0.963260 0.464732 0.511323 Biso 1.000000 O
O81 1.0 0.271458 0.241687 0.005748 Biso 1.000000 O
O82 1.0 0.223604 0.234745 0.504891 Biso 1.000000 O
O83 1.0 0.740513 0.716729 0.002225 Biso 1.000000 O
O84 1.0 0.731753 0.739923 0.487741 Biso 1.000000 O
O85 1.0 0.261697 0.221953 0.229975 Biso 1.000000 O
O86 1.0 0.277903 0.226266 0.733796 Biso 1.000000 O
O87 1.0 0.746664 0.703050 0.242753 Biso 1.000000 O
O88 1.0 0.761948 0.727383 0.725247 Biso 1.000000 O
O89 1.0 0.842815 0.134827 0.111046 Biso 1.000000 O
O90 1.0 0.849616 0.117330 0.596299 Biso 1.000000 O
O91 1.0 0.032674 0.940099 0.117082 Biso 1.000000 O
O92 1.0 0.053744 0.925157 0.617479 Biso 1.000000 O
O93 1.0 0.646411 0.333322 0.354040 Biso 1.000000 O
O94 1.0 0.639372 0.319541 0.894870 Biso 1.000000 O
O95 1.0 0.445782 0.520746 0.362751 Biso 1.000000 O
O96 1.0 0.451789 0.527535 0.858793 Biso 1.000000 O
O97 1.0 0.583647 0.392364 0.632005 Biso 1.000000 O
O98 1.0 0.701669 0.260359 0.635781 Biso 1.000000 O
Si1 1.0 0.246405 0.353339 0.023065 Biso 1.000000 Si
Si2 1.0 0.461491 0.097210 0.035058 Biso 1.000000 Si
Si3 1.0 0.002465 0.343863 0.281446 Biso 1.000000 Si
Si4 1.0 0.005148 0.316429 0.779198 Biso 1.000000 Si
Si5 1.0 0.636772 0.734297 0.228580 Biso 1.000000 Si
Si6 1.0 0.880967 0.503231 0.220581 Biso 1.000000 Si
Si7 1.0 0.855795 0.721594 0.974314 Biso 1.000000 Si
Si8 1.0 0.622040 0.952669 0.482303 Biso 1.000000 Si
Si9 1.0 0.613635 0.963186 0.979249 Biso 1.000000 Si
Si10 1.0 0.245907 0.126044 0.471548 Biso 1.000000 Si
Si11 1.0 0.249301 0.125266 0.981670 Biso 1.000000 Si
Si12 1.0 0.012555 0.364695 0.487640 Biso 1.000000 Si
Si13 1.0 0.020892 0.347554 0.978447 Biso 1.000000 Si
Si14 1.0 0.230116 0.333008 0.228358 Biso 1.000000 Si
Si15 1.0 0.237051 0.333396 0.730840 Biso 1.000000 Si
Si16 1.0 0.473521 0.090622 0.243616 Biso 1.000000 Si
Si17 1.0 0.478746 0.105144 0.732210 Biso 1.000000 Si
Si18 1.0 0.863029 0.719413 0.268934 Biso 1.000000 Si
Si19 1.0 0.869488 0.718131 0.770200 Biso 1.000000 Si
Si20 1.0 0.636125 0.963467 0.279080 Biso 1.000000 Si
Si21 1.0 0.634334 0.968584 0.771535 Biso 1.000000 Si
Si22 1.0 0.627317 0.734525 0.021983 Biso 1.000000 Si
Si23 1.0 0.616860 0.735318 0.518034 Biso 1.000000 Si
Si24 1.0 0.879836 0.498133 0.012151 Biso 1.000000 Si
Si25 1.0 0.945372 0.199609 0.138350 Biso 1.000000 Si
Si26 1.0 0.951414 0.184906 0.622593 Biso 1.000000 Si
Si27 1.0 0.098898 0.045786 0.127364 Biso 1.000000 Si
Si28 1.0 0.113803 0.034888 0.621169 Biso 1.000000 Si
Si29 1.0 0.543029 0.267356 0.377120 Biso 1.000000 Si
Si30 1.0 0.529872 0.257874 0.889091 Biso 1.000000 Si
Si31 1.0 0.383007 0.424276 0.876432 Biso 1.000000 Si
Si32 1.0 0.773313 0.031015 0.123924 Biso 1.000000 Si
Si33 1.0 0.788493 0.014395 0.628969 Biso 1.000000 Si
Si34 1.0 0.927243 0.872468 0.122826 Biso 1.000000 Si
Si35 1.0 0.945860 0.862635 0.629002 Biso 1.000000 Si
Si36 1.0 0.712978 0.439745 0.364072 Biso 1.000000 Si
Si37 1.0 0.705729 0.424612 0.880009 Biso 1.000000 Si
Si38 1.0 0.549941 0.589616 0.373821 Biso 1.000000 Si
Si39 1.0 0.558539 0.590470 0.874521 Biso 1.000000 Si
Si40 1.0 0.853998 0.496788 0.523970 Biso 1.000000 Si
Si41 1.0 0.379476 0.415522 0.375162 Biso 1.000000 Si
Si42 1.0 0.846690 0.724585 0.478454 Biso 1.000000 Si
Si43 1.0 0.250891 0.109889 0.270065 Biso 1.000000 Si
Si44 1.0 0.259655 0.113370 0.770144 Biso 1.000000 Si
Si45 1.0 0.645709 0.740655 0.724165 Biso 1.000000 Si
Si46 1.0 0.232965 0.352137 0.525437 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2195172'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   13.64760
_cell_length_b                   13.64760
_cell_length_c                   15.01510
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.17890
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.885482 0.490252 0.739235 Biso 1.000000 Al
Al2 1.0 0.473488 0.102576 0.518092 Biso 1.000000 Al
Al3 1.0 0.705056 0.424426 0.668465 Biso 1.000000 Al
Al4 1.0 0.547455 0.275956 0.596841 Biso 1.000000 Al
H1 1.0 0.563554 0.494051 0.643914 Biso 1.000000 H
H2 1.0 0.421788 0.385500 0.571879 Biso 1.000000 H
O1 1.0 0.930256 0.251641 0.226456 Biso 1.000000 O
O2 1.0 0.942362 0.230623 0.725509 Biso 1.000000 O
O3 1.0 0.184449 0.035712 0.203123 Biso 1.000000 O
O4 1.0 0.173298 0.049617 0.714091 Biso 1.000000 O
O5 1.0 0.357977 0.101004 0.477631 Biso 1.000000 O
O6 1.0 0.347080 0.083360 0.016813 Biso 1.000000 O
O7 1.0 0.539296 0.221524 0.482653 Biso 1.000000 O
O8 1.0 0.515929 0.197537 0.977354 Biso 1.000000 O
O9 1.0 0.327582 0.411214 0.473483 Biso 1.000000 O
O10 1.0 0.332930 0.424909 0.971504 Biso 1.000000 O
O11 1.0 0.116239 0.328828 0.254103 Biso 1.000000 O
O12 1.0 0.124673 0.309642 0.761557 Biso 1.000000 O
O13 1.0 0.696626 0.014826 0.044170 Biso 1.000000 O
O14 1.0 0.714218 0.971926 0.551556 Biso 1.000000 O
O15 1.0 0.921445 0.795041 0.039082 Biso 1.000000 O
O16 1.0 0.913158 0.813420 0.536339 Biso 1.000000 O
O17 1.0 0.906642 0.615250 0.249024 Biso 1.000000 O
O18 1.0 0.900926 0.609070 0.773811 Biso 1.000000 O
O19 1.0 0.786732 0.449557 0.285103 Biso 1.000000 O
O20 1.0 0.766030 0.430503 0.780514 Biso 1.000000 O
O21 1.0 0.559198 0.676579 0.298362 Biso 1.000000 O
O22 1.0 0.577734 0.668466 0.794797 Biso 1.000000 O
O23 1.0 0.596483 0.842092 0.994730 Biso 1.000000 O
O24 1.0 0.590933 0.830137 0.476439 Biso 1.000000 O
O25 1.0 0.533491 0.179217 0.308178 Biso 1.000000 O
O26 1.0 0.528334 0.179673 0.801147 Biso 1.000000 O
O27 1.0 0.296341 0.401324 0.298195 Biso 1.000000 O
O28 1.0 0.299882 0.408845 0.795454 Biso 1.000000 O
O29 1.0 0.140496 0.381126 0.981830 Biso 1.000000 O
O30 1.0 0.131678 0.386119 0.486999 Biso 1.000000 O
O31 1.0 0.986370 0.276292 0.059051 Biso 1.000000 O
O32 1.0 0.969581 0.277744 0.554356 Biso 1.000000 O
O33 1.0 0.152746 0.064124 0.028666 Biso 1.000000 O
O34 1.0 0.178623 0.043618 0.534028 Biso 1.000000 O
O35 1.0 0.362800 0.071262 0.269529 Biso 1.000000 O
O36 1.0 0.362774 0.062864 0.752320 Biso 1.000000 O
O37 1.0 0.773224 0.455139 0.462618 Biso 1.000000 O
O38 1.0 0.786827 0.431601 0.958415 Biso 1.000000 O
O39 1.0 0.550319 0.637250 0.473685 Biso 1.000000 O
O40 1.0 0.551148 0.649535 0.968225 Biso 1.000000 O
O41 1.0 0.643293 0.853426 0.247493 Biso 1.000000 O
O42 1.0 0.639821 0.851276 0.757136 Biso 1.000000 O
O43 1.0 0.724411 0.036714 0.218707 Biso 1.000000 O
O44 1.0 0.723682 0.034541 0.721514 Biso 1.000000 O
O45 1.0 0.921936 0.806891 0.217501 Biso 1.000000 O
O46 1.0 0.945287 0.789006 0.712802 Biso 1.000000 O
O47 1.0 0.886154 0.621495 0.515116 Biso 1.000000 O
O48 1.0 0.880556 0.611769 0.986308 Biso 1.000000 O
O49 1.0 0.033522 0.123880 0.151489 Biso 1.000000 O
O50 1.0 0.037323 0.120702 0.617356 Biso 1.000000 O
O51 1.0 0.451824 0.331344 0.368328 Biso 1.000000 O
O52 1.0 0.444222 0.325650 0.869523 Biso 1.000000 O
O53 1.0 0.841697 0.937172 0.121309 Biso 1.000000 O
O54 1.0 0.862774 0.941480 0.655667 Biso 1.000000 O
O55 1.0 0.638585 0.525152 0.361943 Biso 1.000000 O
O56 1.0 0.647192 0.521492 0.884071 Biso 1.000000 O
O57 1.0 0.980908 0.320451 0.383329 Biso 1.000000 O
O58 1.0 0.986759 0.299092 0.886526 Biso 1.000000 O
O59 1.0 0.207708 0.107235 0.367437 Biso 1.000000 O
O60 1.0 0.234777 0.108883 0.873882 Biso 1.000000 O
O61 1.0 0.488632 0.130193 0.139133 Biso 1.000000 O
O62 1.0 0.491007 0.149978 0.631624 Biso 1.000000 O
O63 1.0 0.250987 0.378584 0.128321 Biso 1.000000 O
O64 1.0 0.245161 0.372750 0.628416 Biso 1.000000 O
O65 1.0 0.672633 0.982498 0.381012 Biso 1.000000 O
O66 1.0 0.642716 0.990324 0.879115 Biso 1.000000 O
O67 1.0 0.871494 0.741139 0.376676 Biso 1.000000 O
O68 1.0 0.862575 0.759694 0.873228 Biso 1.000000 O
O69 1.0 0.846047 0.484561 0.121140 Biso 1.000000 O
O70 1.0 0.830121 0.473535 0.628279 Biso 1.000000 O
O71 1.0 0.596126 0.713238 0.128903 Biso 1.000000 O
O72 1.0 0.596339 0.727389 0.626623 Biso 1.000000 O
O73 1.0 0.976384 0.445937 0.246396 Biso 1.000000 O
O74 1.0 0.982840 0.425315 0.751705 Biso 1.000000 O
O75 1.0 0.507987 1.002399 1.005404 Biso 1.000000 O
O76 1.0 0.533289 0.003841 0.500692 Biso 1.000000 O
O77 1.0 0.531876 0.995724 0.257212 Biso 1.000000 O
O78 1.0 0.531182 0.997907 0.734334 Biso 1.000000 O
O79 1.0 0.976095 0.456072 0.993896 Biso 1.000000 O
O80 1.0 0.966262 0.461236 0.502483 Biso 1.000000 O
O81 1.0 0.255755 0.240853 0.003855 Biso 1.000000 O
O82 1.0 0.231291 0.232581 0.502753 Biso 1.000000 O
O83 1.0 0.736005 0.723073 0.006332 Biso 1.000000 O
O84 1.0 0.733633 0.719826 0.500781 Biso 1.000000 O
O85 1.0 0.264479 0.221332 0.227809 Biso 1.000000 O
O86 1.0 0.283451 0.225065 0.731899 Biso 1.000000 O
O87 1.0 0.745025 0.700965 0.240869 Biso 1.000000 O
O88 1.0 0.758250 0.715998 0.724611 Biso 1.000000 O
O89 1.0 0.846814 0.132462 0.102183 Biso 1.000000 O
O90 1.0 0.843612 0.123460 0.599403 Biso 1.000000 O
O91 1.0 0.037397 0.932380 0.119950 Biso 1.000000 O
O92 1.0 0.051241 0.925857 0.622011 Biso 1.000000 O
O93 1.0 0.649189 0.333269 0.368668 Biso 1.000000 O
O94 1.0 0.637580 0.323429 0.883717 Biso 1.000000 O
O95 1.0 0.442450 0.524172 0.361268 Biso 1.000000 O
O96 1.0 0.454288 0.522369 0.856728 Biso 1.000000 O
O97 1.0 0.631530 0.517306 0.661472 Biso 1.000000 O
O98 1.0 0.663524 0.307179 0.636187 Biso 1.000000 O
O99 1.0 0.474147 0.368360 0.610412 Biso 1.000000 O
Si1 1.0 0.244413 0.355844 0.022158 Biso 1.000000 Si
Si2 1.0 0.465142 0.103419 0.034928 Biso 1.000000 Si
Si3 1.0 0.002018 0.337674 0.277952 Biso 1.000000 Si
Si4 1.0 0.009009 0.318405 0.780695 Biso 1.000000 Si
Si5 1.0 0.636194 0.736399 0.229265 Biso 1.000000 Si
Si6 1.0 0.878795 0.499280 0.224793 Biso 1.000000 Si
Si7 1.0 0.849594 0.722096 0.975479 Biso 1.000000 Si
Si8 1.0 0.626655 0.948405 0.478438 Biso 1.000000 Si
Si9 1.0 0.611207 0.960594 0.980607 Biso 1.000000 Si
Si10 1.0 0.245643 0.121034 0.470476 Biso 1.000000 Si
Si11 1.0 0.247954 0.124550 0.980368 Biso 1.000000 Si
Si12 1.0 0.012566 0.359507 0.482391 Biso 1.000000 Si
Si13 1.0 0.021730 0.352600 0.979879 Biso 1.000000 Si
Si14 1.0 0.231193 0.331679 0.226949 Biso 1.000000 Si
Si15 1.0 0.238080 0.329952 0.729455 Biso 1.000000 Si
Si16 1.0 0.478244 0.094199 0.242484 Biso 1.000000 Si
Si17 1.0 0.478260 0.097368 0.732082 Biso 1.000000 Si
Si18 1.0 0.860327 0.716669 0.271401 Biso 1.000000 Si
Si19 1.0 0.866365 0.716756 0.771717 Biso 1.000000 Si
Si20 1.0 0.642537 0.967026 0.277130 Biso 1.000000 Si
Si21 1.0 0.634995 0.966827 0.773462 Biso 1.000000 Si
Si22 1.0 0.620573 0.733142 0.024205 Biso 1.000000 Si
Si23 1.0 0.618581 0.728914 0.521162 Biso 1.000000 Si
Si24 1.0 0.872480 0.497479 0.015904 Biso 1.000000 Si
Si25 1.0 0.949169 0.195306 0.133709 Biso 1.000000 Si
Si26 1.0 0.948054 0.187710 0.624745 Biso 1.000000 Si
Si27 1.0 0.102230 0.039338 0.125466 Biso 1.000000 Si
Si28 1.0 0.110006 0.035884 0.622185 Biso 1.000000 Si
Si29 1.0 0.543183 0.267614 0.379949 Biso 1.000000 Si
Si30 1.0 0.530875 0.256725 0.883813 Biso 1.000000 Si
Si31 1.0 0.383162 0.420537 0.873186 Biso 1.000000 Si
Si32 1.0 0.777775 0.029434 0.122377 Biso 1.000000 Si
Si33 1.0 0.785317 0.018015 0.630991 Biso 1.000000 Si
Si34 1.0 0.929933 0.868003 0.124437 Biso 1.000000 Si
Si35 1.0 0.941902 0.866294 0.631490 Biso 1.000000 Si
Si36 1.0 0.712455 0.442018 0.369148 Biso 1.000000 Si
Si37 1.0 0.707931 0.427525 0.878052 Biso 1.000000 Si
Si38 1.0 0.548216 0.591097 0.373995 Biso 1.000000 Si
Si39 1.0 0.558123 0.590172 0.874773 Biso 1.000000 Si
Si40 1.0 0.863841 0.503496 0.524711 Biso 1.000000 Si
Si41 1.0 0.379526 0.417174 0.374931 Biso 1.000000 Si
Si42 1.0 0.850286 0.724820 0.482135 Biso 1.000000 Si
Si43 1.0 0.254615 0.109219 0.267889 Biso 1.000000 Si
Si44 1.0 0.261632 0.112331 0.768842 Biso 1.000000 Si
Si45 1.0 0.644265 0.738065 0.725256 Biso 1.000000 Si
Si46 1.0 0.232480 0.348757 0.523107 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2195175'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   13.64760
_cell_length_b                   13.64760
_cell_length_c                   15.01510
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.17890
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.889033 0.487926 0.739616 Biso 1.000000 Al
Al2 1.0 0.472527 0.100908 0.517690 Biso 1.000000 Al
Al3 1.0 0.706962 0.413540 0.678443 Biso 1.000000 Al
Al4 1.0 0.508988 0.468040 0.630117 Biso 1.000000 Al
Al5 1.0 0.555504 0.280577 0.588592 Biso 1.000000 Al
H1 1.0 0.617780 0.438133 0.511451 Biso 1.000000 H
H2 1.0 0.422152 0.304307 0.699727 Biso 1.000000 H
H3 1.0 0.434816 0.612251 0.641612 Biso 1.000000 H
O1 1.0 0.932923 0.251433 0.225925 Biso 1.000000 O
O2 1.0 0.942025 0.228710 0.724963 Biso 1.000000 O
O3 1.0 0.186152 0.035773 0.201653 Biso 1.000000 O
O4 1.0 0.180760 0.053284 0.709530 Biso 1.000000 O
O5 1.0 0.355798 0.104554 0.481537 Biso 1.000000 O
O6 1.0 0.347911 0.079454 0.015076 Biso 1.000000 O
O7 1.0 0.540652 0.216204 0.478567 Biso 1.000000 O
O8 1.0 0.515558 0.195926 0.976129 Biso 1.000000 O
O9 1.0 0.327334 0.402471 0.470859 Biso 1.000000 O
O10 1.0 0.334329 0.422709 0.971443 Biso 1.000000 O
O11 1.0 0.120333 0.322883 0.254995 Biso 1.000000 O
O12 1.0 0.125386 0.303555 0.764725 Biso 1.000000 O
O13 1.0 0.696938 0.011462 0.045040 Biso 1.000000 O
O14 1.0 0.707497 0.973977 0.552369 Biso 1.000000 O
O15 1.0 0.923343 0.793366 0.038828 Biso 1.000000 O
O16 1.0 0.926539 0.806160 0.536315 Biso 1.000000 O
O17 1.0 0.910599 0.613108 0.251641 Biso 1.000000 O
O18 1.0 0.904517 0.606826 0.773977 Biso 1.000000 O
O19 1.0 0.797880 0.443507 0.290000 Biso 1.000000 O
O20 1.0 0.773855 0.424076 0.786620 Biso 1.000000 O
O21 1.0 0.560262 0.672933 0.298680 Biso 1.000000 O
O22 1.0 0.578610 0.668165 0.796689 Biso 1.000000 O
O23 1.0 0.596001 0.838630 0.996248 Biso 1.000000 O
O24 1.0 0.587125 0.826399 0.480136 Biso 1.000000 O
O25 1.0 0.536913 0.172977 0.305473 Biso 1.000000 O
O26 1.0 0.534079 0.179641 0.799828 Biso 1.000000 O
O27 1.0 0.300118 0.401730 0.295622 Biso 1.000000 O
O28 1.0 0.300120 0.409485 0.795954 Biso 1.000000 O
O29 1.0 0.141173 0.376513 0.979920 Biso 1.000000 O
O30 1.0 0.131565 0.389243 0.489384 Biso 1.000000 O
O31 1.0 0.985383 0.273884 0.057616 Biso 1.000000 O
O32 1.0 0.971312 0.275434 0.554334 Biso 1.000000 O
O33 1.0 0.153561 0.062485 0.027023 Biso 1.000000 O
O34 1.0 0.174447 0.039617 0.529561 Biso 1.000000 O
O35 1.0 0.364229 0.067456 0.268870 Biso 1.000000 O
O36 1.0 0.369126 0.065286 0.750718 Biso 1.000000 O
O37 1.0 0.763705 0.450390 0.466104 Biso 1.000000 O
O38 1.0 0.787220 0.428037 0.964715 Biso 1.000000 O
O39 1.0 0.565004 0.630831 0.472326 Biso 1.000000 O
O40 1.0 0.553064 0.645934 0.969167 Biso 1.000000 O
O41 1.0 0.646142 0.849063 0.248496 Biso 1.000000 O
O42 1.0 0.642221 0.848872 0.750992 Biso 1.000000 O
O43 1.0 0.725015 0.032696 0.219847 Biso 1.000000 O
O44 1.0 0.730068 0.031145 0.722741 Biso 1.000000 O
O45 1.0 0.922978 0.804234 0.217031 Biso 1.000000 O
O46 1.0 0.944525 0.788464 0.714789 Biso 1.000000 O
O47 1.0 0.879129 0.615676 0.514040 Biso 1.000000 O
O48 1.0 0.880990 0.609232 0.988521 Biso 1.000000 O
O49 1.0 0.034007 0.122192 0.149798 Biso 1.000000 O
O50 1.0 0.037559 0.118183 0.618895 Biso 1.000000 O
O51 1.0 0.450809 0.323372 0.360523 Biso 1.000000 O
O52 1.0 0.442364 0.321084 0.866008 Biso 1.000000 O
O53 1.0 0.843419 0.935476 0.121411 Biso 1.000000 O
O54 1.0 0.861350 0.935622 0.646006 Biso 1.000000 O
O55 1.0 0.643139 0.520679 0.352756 Biso 1.000000 O
O56 1.0 0.655612 0.524019 0.885420 Biso 1.000000 O
O57 1.0 0.984580 0.317156 0.383328 Biso 1.000000 O
O58 1.0 0.984571 0.299046 0.885592 Biso 1.000000 O
O59 1.0 0.209727 0.108149 0.365675 Biso 1.000000 O
O60 1.0 0.237370 0.106755 0.871924 Biso 1.000000 O
O61 1.0 0.489417 0.125317 0.137094 Biso 1.000000 O
O62 1.0 0.498252 0.148135 0.628841 Biso 1.000000 O
O63 1.0 0.251003 0.376506 0.126983 Biso 1.000000 O
O64 1.0 0.242591 0.369935 0.629314 Biso 1.000000 O
O65 1.0 0.668869 0.977771 0.381576 Biso 1.000000 O
O66 1.0 0.647464 0.983074 0.878757 Biso 1.000000 O
O67 1.0 0.873266 0.739561 0.376878 Biso 1.000000 O
O68 1.0 0.862064 0.755673 0.874056 Biso 1.000000 O
O69 1.0 0.851391 0.482431 0.124535 Biso 1.000000 O
O70 1.0 0.827547 0.470605 0.630820 Biso 1.000000 O
O71 1.0 0.597063 0.709262 0.129858 Biso 1.000000 O
O72 1.0 0.597587 0.715850 0.626675 Biso 1.000000 O
O73 1.0 0.985339 0.445060 0.247066 Biso 1.000000 O
O74 1.0 0.987479 0.423432 0.748090 Biso 1.000000 O
O75 1.0 0.509770 1.000590 1.001124 Biso 1.000000 O
O76 1.0 0.525135 -0.002297 0.497422 Biso 1.000000 O
O77 1.0 0.531666 0.989361 0.253849 Biso 1.000000 O
O78 1.0 0.536413 0.997343 0.734256 Biso 1.000000 O
O79 1.0 0.978454 0.454995 0.994236 Biso 1.000000 O
O80 1.0 0.959554 0.456025 0.500498 Biso 1.000000 O
O81 1.0 0.258436 0.238337 0.002612 Biso 1.000000 O
O82 1.0 0.222118 0.229738 0.504554 Biso 1.000000 O
O83 1.0 0.737389 0.722036 0.008362 Biso 1.000000 O
O84 1.0 0.740516 0.732049 0.505089 Biso 1.000000 O
O85 1.0 0.270338 0.220168 0.225713 Biso 1.000000 O
O86 1.0 0.290270 0.228375 0.734369 Biso 1.000000 O
O87 1.0 0.746992 0.696476 0.241322 Biso 1.000000 O
O88 1.0 0.759056 0.709555 0.725199 Biso 1.000000 O
O89 1.0 0.846291 0.130757 0.103936 Biso 1.000000 O
O90 1.0 0.844720 0.120790 0.597508 Biso 1.000000 O
O91 1.0 0.039080 0.930709 0.120106 Biso 1.000000 O
O92 1.0 0.053979 0.924874 0.628152 Biso 1.000000 O
O93 1.0 0.650308 0.328142 0.362463 Biso 1.000000 O
O94 1.0 0.636392 0.325575 0.885923 Biso 1.000000 O
O95 1.0 0.446923 0.518551 0.364406 Biso 1.000000 O
O96 1.0 0.460362 0.516892 0.857424 Biso 1.000000 O
O97 1.0 0.671077 0.299149 0.635408 Biso 1.000000 O
O98 1.0 0.621154 0.494888 0.684403 Biso 1.000000 O
O99 1.0 0.551698 0.407926 0.528058 Biso 1.000000 O
O100 1.0 0.462574 0.337512 0.652618 Biso 1.000000 O
O101 1.0 0.417582 0.542160 0.631307 Biso 1.000000 O
Si1 1.0 0.245324 0.352867 0.021206 Biso 1.000000 Si
Si2 1.0 0.465998 0.100373 0.032712 Biso 1.000000 Si
Si3 1.0 0.006931 0.335027 0.278316 Biso 1.000000 Si
Si4 1.0 0.009461 0.315909 0.779996 Biso 1.000000 Si
Si5 1.0 0.638095 0.732209 0.229857 Biso 1.000000 Si
Si6 1.0 0.886430 0.496882 0.227482 Biso 1.000000 Si
Si7 1.0 0.850460 0.719602 0.976766 Biso 1.000000 Si
Si8 1.0 0.621287 0.945474 0.478821 Biso 1.000000 Si
Si9 1.0 0.612868 0.956884 0.980199 Biso 1.000000 Si
Si10 1.0 0.242937 0.120859 0.470095 Biso 1.000000 Si
Si11 1.0 0.249452 0.121960 0.978757 Biso 1.000000 Si
Si12 1.0 0.013224 0.357869 0.482582 Biso 1.000000 Si
Si13 1.0 0.022049 0.350517 0.979134 Biso 1.000000 Si
Si14 1.0 0.235208 0.329845 0.226195 Biso 1.000000 Si
Si15 1.0 0.237257 0.330077 0.730566 Biso 1.000000 Si
Si16 1.0 0.479401 0.089100 0.240440 Biso 1.000000 Si
Si17 1.0 0.485164 0.097828 0.729228 Biso 1.000000 Si
Si18 1.0 0.862427 0.714043 0.271755 Biso 1.000000 Si
Si19 1.0 0.867479 0.713471 0.772582 Biso 1.000000 Si
Si20 1.0 0.642217 0.962547 0.276995 Biso 1.000000 Si
Si21 1.0 0.639402 0.964007 0.772477 Biso 1.000000 Si
Si22 1.0 0.621467 0.730068 0.025382 Biso 1.000000 Si
Si23 1.0 0.623039 0.727461 0.521385 Biso 1.000000 Si
Si24 1.0 0.874857 0.495263 0.018862 Biso 1.000000 Si
Si25 1.0 0.949511 0.193712 0.133394 Biso 1.000000 Si
Si26 1.0 0.948523 0.185394 0.624295 Biso 1.000000 Si
Si27 1.0 0.103522 0.038161 0.124320 Biso 1.000000 Si
Si28 1.0 0.111896 0.034974 0.621347 Biso 1.000000 Si
Si29 1.0 0.543808 0.262844 0.376056 Biso 1.000000 Si
Si30 1.0 0.531815 0.255359 0.882876 Biso 1.000000 Si
Si31 1.0 0.384203 0.418361 0.873269 Biso 1.000000 Si
Si32 1.0 0.778268 0.026854 0.123262 Biso 1.000000 Si
Si33 1.0 0.785429 0.015652 0.628419 Biso 1.000000 Si
Si34 1.0 0.931599 0.866231 0.124369 Biso 1.000000 Si
Si35 1.0 0.945262 0.863295 0.631179 Biso 1.000000 Si
Si36 1.0 0.714530 0.436005 0.366080 Biso 1.000000 Si
Si37 1.0 0.711679 0.426522 0.881945 Biso 1.000000 Si
Si38 1.0 0.552767 0.585265 0.372175 Biso 1.000000 Si
Si39 1.0 0.562553 0.587548 0.875493 Biso 1.000000 Si
Si40 1.0 0.858108 0.497960 0.525994 Biso 1.000000 Si
Si41 1.0 0.381938 0.411537 0.374539 Biso 1.000000 Si
Si42 1.0 0.854611 0.723812 0.482603 Biso 1.000000 Si
Si43 1.0 0.257345 0.108331 0.266565 Biso 1.000000 Si
Si44 1.0 0.267472 0.113345 0.767537 Biso 1.000000 Si
Si45 1.0 0.646103 0.734170 0.725211 Biso 1.000000 Si
Si46 1.0 0.231891 0.347444 0.523534 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2195173'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   13.64760
_cell_length_b                   13.64760
_cell_length_c                   15.01510
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.17890
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.871717 0.489406 0.724256 Biso 1.000000 Al
Al2 1.0 0.470039 0.103446 0.508963 Biso 1.000000 Al
Al3 1.0 0.546347 0.283037 0.582578 Biso 1.000000 Al
Al4 1.0 0.683720 0.426502 0.655002 Biso 1.000000 Al
H1 1.0 0.580147 0.453895 0.527622 Biso 1.000000 H
H2 1.0 0.391173 0.296982 0.643604 Biso 1.000000 H
H3 1.0 0.658367 0.249562 0.708770 Biso 1.000000 H
H4 1.0 0.535391 0.493503 0.671754 Biso 1.000000 H
O1 1.0 0.927385 0.253120 0.219922 Biso 1.000000 O
O2 1.0 0.934843 0.227124 0.715817 Biso 1.000000 O
O3 1.0 0.173770 0.035004 0.196832 Biso 1.000000 O
O4 1.0 0.166798 0.054282 0.704145 Biso 1.000000 O
O5 1.0 0.354500 0.105625 0.469022 Biso 1.000000 O
O6 1.0 0.342762 0.081416 1.003225 Biso 1.000000 O
O7 1.0 0.541454 0.218924 0.472254 Biso 1.000000 O
O8 1.0 0.510543 0.198642 0.967123 Biso 1.000000 O
O9 1.0 0.318244 0.415603 0.460727 Biso 1.000000 O
O10 1.0 0.326086 0.426246 0.962869 Biso 1.000000 O
O11 1.0 0.111325 0.335728 0.250738 Biso 1.000000 O
O12 1.0 0.114765 0.314008 0.752777 Biso 1.000000 O
O13 1.0 0.691933 0.016802 0.033760 Biso 1.000000 O
O14 1.0 0.705915 0.972123 0.541640 Biso 1.000000 O
O15 1.0 0.912148 0.796332 0.029023 Biso 1.000000 O
O16 1.0 0.904785 0.817319 0.526168 Biso 1.000000 O
O17 1.0 0.899408 0.616370 0.236445 Biso 1.000000 O
O18 1.0 0.894693 0.608253 0.759560 Biso 1.000000 O
O19 1.0 0.773549 0.451154 0.262720 Biso 1.000000 O
O20 1.0 0.755185 0.431444 0.767435 Biso 1.000000 O
O21 1.0 0.555558 0.676410 0.290786 Biso 1.000000 O
O22 1.0 0.571830 0.676253 0.791705 Biso 1.000000 O
O23 1.0 0.590977 0.841817 0.989566 Biso 1.000000 O
O24 1.0 0.580938 0.827436 0.472094 Biso 1.000000 O
O25 1.0 0.525621 0.181050 0.296812 Biso 1.000000 O
O26 1.0 0.526803 0.181834 0.790885 Biso 1.000000 O
O27 1.0 0.297358 0.398115 0.285083 Biso 1.000000 O
O28 1.0 0.291420 0.412666 0.787821 Biso 1.000000 O
O29 1.0 0.133649 0.374108 0.968777 Biso 1.000000 O
O30 1.0 0.125544 0.385303 0.478501 Biso 1.000000 O
O31 1.0 0.975327 0.279624 0.049850 Biso 1.000000 O
O32 1.0 0.961068 0.278499 0.544770 Biso 1.000000 O
O33 1.0 0.149501 0.065384 0.020309 Biso 1.000000 O
O34 1.0 0.174683 0.045275 0.524768 Biso 1.000000 O
O35 1.0 0.354259 0.074048 0.258241 Biso 1.000000 O
O36 1.0 0.357179 0.071154 0.741713 Biso 1.000000 O
O37 1.0 0.784950 0.457219 0.437110 Biso 1.000000 O
O38 1.0 0.785571 0.431533 0.942548 Biso 1.000000 O
O39 1.0 0.545550 0.632455 0.465336 Biso 1.000000 O
O40 1.0 0.541374 0.649313 0.960816 Biso 1.000000 O
O41 1.0 0.631749 0.853327 0.235149 Biso 1.000000 O
O42 1.0 0.635646 0.853573 0.736910 Biso 1.000000 O
O43 1.0 0.714217 0.036517 0.209685 Biso 1.000000 O
O44 1.0 0.713887 0.038907 0.710174 Biso 1.000000 O
O45 1.0 0.917633 0.808625 0.207689 Biso 1.000000 O
O46 1.0 0.937342 0.790190 0.701637 Biso 1.000000 O
O47 1.0 0.879194 0.624094 0.508567 Biso 1.000000 O
O48 1.0 0.876876 0.613512 0.972088 Biso 1.000000 O
O49 1.0 0.028083 0.127313 0.139449 Biso 1.000000 O
O50 1.0 0.029907 0.121031 0.604491 Biso 1.000000 O
O51 1.0 0.450882 0.333549 0.365583 Biso 1.000000 O
O52 1.0 0.433437 0.323429 0.859375 Biso 1.000000 O
O53 1.0 0.833967 0.938250 0.113874 Biso 1.000000 O
O54 1.0 0.855292 0.944156 0.646946 Biso 1.000000 O
O55 1.0 0.633310 0.522186 0.355361 Biso 1.000000 O
O56 1.0 0.645550 0.527660 0.881778 Biso 1.000000 O
O57 1.0 0.971409 0.330575 0.376248 Biso 1.000000 O
O58 1.0 0.975811 0.299502 0.875824 Biso 1.000000 O
O59 1.0 0.203075 0.113094 0.359754 Biso 1.000000 O
O60 1.0 0.227802 0.114101 0.863892 Biso 1.000000 O
O61 1.0 0.482004 0.128672 0.128191 Biso 1.000000 O
O62 1.0 0.493140 0.147400 0.621380 Biso 1.000000 O
O63 1.0 0.239294 0.380466 0.118424 Biso 1.000000 O
O64 1.0 0.236489 0.379560 0.620446 Biso 1.000000 O
O65 1.0 0.663451 0.977021 0.371575 Biso 1.000000 O
O66 1.0 0.640982 0.983464 0.868963 Biso 1.000000 O
O67 1.0 0.868618 0.740763 0.367260 Biso 1.000000 O
O68 1.0 0.856838 0.760202 0.861570 Biso 1.000000 O
O69 1.0 0.842732 0.486991 0.105413 Biso 1.000000 O
O70 1.0 0.810132 0.474890 0.613838 Biso 1.000000 O
O71 1.0 0.591775 0.709030 0.120272 Biso 1.000000 O
O72 1.0 0.590001 0.715338 0.618147 Biso 1.000000 O
O73 1.0 0.967807 0.448021 0.234904 Biso 1.000000 O
O74 1.0 0.967682 0.422184 0.736575 Biso 1.000000 O
O75 1.0 0.504397 1.003397 0.992609 Biso 1.000000 O
O76 1.0 0.523565 0.000736 0.489770 Biso 1.000000 O
O77 1.0 0.522109 0.996233 0.249353 Biso 1.000000 O
O78 1.0 0.521920 -0.002849 0.730389 Biso 1.000000 O
O79 1.0 0.974490 0.458966 0.980570 Biso 1.000000 O
O80 1.0 0.964216 0.465040 0.505624 Biso 1.000000 O
O81 1.0 0.255399 0.241364 0.997518 Biso 1.000000 O
O82 1.0 0.227856 0.235199 0.498926 Biso 1.000000 O
O83 1.0 0.728642 0.721183 0.993975 Biso 1.000000 O
O84 1.0 0.726969 0.720934 0.489090 Biso 1.000000 O
O85 1.0 0.251662 0.220752 0.214684 Biso 1.000000 O
O86 1.0 0.274754 0.231187 0.721429 Biso 1.000000 O
O87 1.0 0.740214 0.705181 0.233336 Biso 1.000000 O
O88 1.0 0.750871 0.712953 0.715000 Biso 1.000000 O
O89 1.0 0.839335 0.134431 0.097213 Biso 1.000000 O
O90 1.0 0.835081 0.124741 0.588323 Biso 1.000000 O
O91 1.0 0.029337 0.934964 0.107547 Biso 1.000000 O
O92 1.0 0.044441 0.928076 0.612983 Biso 1.000000 O
O93 1.0 0.648187 0.330739 0.354291 Biso 1.000000 O
O94 1.0 0.628719 0.328353 0.873737 Biso 1.000000 O
O95 1.0 0.437505 0.524127 0.349810 Biso 1.000000 O
O96 1.0 0.450835 0.520928 0.847593 Biso 1.000000 O
O97 1.0 0.619188 0.401676 0.544034 Biso 1.000000 O
O98 1.0 0.445246 0.338626 0.615404 Biso 1.000000 O
O99 1.0 0.654577 0.290713 0.656276 Biso 1.000000 O
O100 1.0 0.601369 0.502154 0.697371 Biso 1.000000 O
Si1 1.0 0.237948 0.355421 0.012773 Biso 1.000000 Si
Si2 1.0 0.460270 0.103193 0.023528 Biso 1.000000 Si
Si3 1.0 0.995711 0.342421 0.270809 Biso 1.000000 Si
Si4 1.0 0.997772 0.318466 0.769888 Biso 1.000000 Si
Si5 1.0 0.630298 0.736408 0.220119 Biso 1.000000 Si
Si6 1.0 0.871044 0.501007 0.209755 Biso 1.000000 Si
Si7 1.0 0.842818 0.722642 0.963879 Biso 1.000000 Si
Si8 1.0 0.617408 0.945734 0.469598 Biso 1.000000 Si
Si9 1.0 0.607237 0.959470 0.971159 Biso 1.000000 Si
Si10 1.0 0.241912 0.125074 0.462869 Biso 1.000000 Si
Si11 1.0 0.243802 0.125806 0.970780 Biso 1.000000 Si
Si12 1.0 0.006666 0.363365 0.476326 Biso 1.000000 Si
Si13 1.0 0.014304 0.352214 0.968734 Biso 1.000000 Si
Si14 1.0 0.223756 0.333097 0.217421 Biso 1.000000 Si
Si15 1.0 0.227753 0.336157 0.720885 Biso 1.000000 Si
Si16 1.0 0.470024 0.095304 0.232267 Biso 1.000000 Si
Si17 1.0 0.473684 0.099272 0.721940 Biso 1.000000 Si
Si18 1.0 0.855919 0.718333 0.261607 Biso 1.000000 Si
Si19 1.0 0.860204 0.715993 0.760486 Biso 1.000000 Si
Si20 1.0 0.632437 0.966057 0.267524 Biso 1.000000 Si
Si21 1.0 0.628329 0.966474 0.762776 Biso 1.000000 Si
Si22 1.0 0.613822 0.731278 0.015573 Biso 1.000000 Si
Si23 1.0 0.611732 0.725852 0.512641 Biso 1.000000 Si
Si24 1.0 0.869556 0.498994 0.000610 Biso 1.000000 Si
Si25 1.0 0.942491 0.198123 0.125647 Biso 1.000000 Si
Si26 1.0 0.940660 0.187554 0.613849 Biso 1.000000 Si
Si27 1.0 0.095582 0.041019 0.115839 Biso 1.000000 Si
Si28 1.0 0.104238 0.037866 0.611770 Biso 1.000000 Si
Si29 1.0 0.541299 0.267767 0.370306 Biso 1.000000 Si
Si30 1.0 0.523594 0.258868 0.874080 Biso 1.000000 Si
Si31 1.0 0.376213 0.421442 0.864446 Biso 1.000000 Si
Si32 1.0 0.770335 0.030769 0.114447 Biso 1.000000 Si
Si33 1.0 0.777014 0.019326 0.620620 Biso 1.000000 Si
Si34 1.0 0.922605 0.869464 0.114357 Biso 1.000000 Si
Si35 1.0 0.934597 0.869069 0.621694 Biso 1.000000 Si
Si36 1.0 0.709520 0.440545 0.353410 Biso 1.000000 Si
Si37 1.0 0.701530 0.431489 0.866413 Biso 1.000000 Si
Si38 1.0 0.543450 0.589090 0.364149 Biso 1.000000 Si
Si39 1.0 0.553206 0.591245 0.866900 Biso 1.000000 Si
Si40 1.0 0.858253 0.505397 0.513694 Biso 1.000000 Si
Si41 1.0 0.375225 0.416913 0.365928 Biso 1.000000 Si
Si42 1.0 0.844417 0.726647 0.472422 Biso 1.000000 Si
Si43 1.0 0.245552 0.110875 0.258725 Biso 1.000000 Si
Si44 1.0 0.254719 0.117900 0.758818 Biso 1.000000 Si
Si45 1.0 0.637732 0.737102 0.716196 Biso 1.000000 Si
Si46 1.0 0.228648 0.352608 0.515126 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC4
_database_code_depnum_ccdc_archive 'CCDC 2195174'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   13.64760
_cell_length_b                   13.64760
_cell_length_c                   15.01510
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.17890
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.884307 0.488982 0.737812 Biso 1.000000 Al
Al2 1.0 0.473316 0.099320 0.516409 Biso 1.000000 Al
Al3 1.0 0.702593 0.421365 0.670140 Biso 1.000000 Al
Al4 1.0 0.501086 0.480615 0.626236 Biso 1.000000 Al
Al5 1.0 0.552455 0.272213 0.591321 Biso 1.000000 Al
H1 1.0 0.351602 0.543679 0.610963 Biso 1.000000 H
O1 1.0 0.934723 0.254865 0.224792 Biso 1.000000 O
O2 1.0 0.943014 0.226413 0.723241 Biso 1.000000 O
O3 1.0 0.183984 0.034696 0.201832 Biso 1.000000 O
O4 1.0 0.175712 0.052063 0.710913 Biso 1.000000 O
O5 1.0 0.358920 0.102211 0.474887 Biso 1.000000 O
O6 1.0 0.347031 0.079910 0.013300 Biso 1.000000 O
O7 1.0 0.545894 0.213559 0.478728 Biso 1.000000 O
O8 1.0 0.515257 0.195474 0.974747 Biso 1.000000 O
O9 1.0 0.319112 0.414634 0.465446 Biso 1.000000 O
O10 1.0 0.332576 0.425649 0.970334 Biso 1.000000 O
O11 1.0 0.121630 0.328953 0.258920 Biso 1.000000 O
O12 1.0 0.124924 0.309822 0.758218 Biso 1.000000 O
O13 1.0 0.696246 0.015277 0.045609 Biso 1.000000 O
O14 1.0 0.709716 0.967664 0.552122 Biso 1.000000 O
O15 1.0 0.920654 0.795807 0.037900 Biso 1.000000 O
O16 1.0 0.922561 0.810229 0.534960 Biso 1.000000 O
O17 1.0 0.907549 0.614180 0.247736 Biso 1.000000 O
O18 1.0 0.902787 0.607160 0.774187 Biso 1.000000 O
O19 1.0 0.794516 0.444140 0.286192 Biso 1.000000 O
O20 1.0 0.765540 0.429336 0.780972 Biso 1.000000 O
O21 1.0 0.561355 0.676551 0.299962 Biso 1.000000 O
O22 1.0 0.579753 0.668739 0.795605 Biso 1.000000 O
O23 1.0 0.598829 0.841109 0.996244 Biso 1.000000 O
O24 1.0 0.586872 0.824608 0.475843 Biso 1.000000 O
O25 1.0 0.533061 0.178766 0.303448 Biso 1.000000 O
O26 1.0 0.530434 0.182121 0.798156 Biso 1.000000 O
O27 1.0 0.306688 0.401206 0.289549 Biso 1.000000 O
O28 1.0 0.300692 0.409520 0.794113 Biso 1.000000 O
O29 1.0 0.140511 0.376734 0.976596 Biso 1.000000 O
O30 1.0 0.128482 0.383610 0.492052 Biso 1.000000 O
O31 1.0 0.985065 0.274409 0.055249 Biso 1.000000 O
O32 1.0 0.963474 0.274802 0.552075 Biso 1.000000 O
O33 1.0 0.153188 0.065407 0.027214 Biso 1.000000 O
O34 1.0 0.179611 0.042354 0.531127 Biso 1.000000 O
O35 1.0 0.362394 0.069234 0.267505 Biso 1.000000 O
O36 1.0 0.364883 0.064167 0.751363 Biso 1.000000 O
O37 1.0 0.769195 0.452997 0.462663 Biso 1.000000 O
O38 1.0 0.787880 0.431260 0.958878 Biso 1.000000 O
O39 1.0 0.563505 0.628379 0.474065 Biso 1.000000 O
O40 1.0 0.550377 0.648949 0.968694 Biso 1.000000 O
O41 1.0 0.643477 0.852656 0.246853 Biso 1.000000 O
O42 1.0 0.640489 0.850561 0.754228 Biso 1.000000 O
O43 1.0 0.724179 0.036028 0.220556 Biso 1.000000 O
O44 1.0 0.726599 0.032322 0.721230 Biso 1.000000 O
O45 1.0 0.924013 0.806192 0.215713 Biso 1.000000 O
O46 1.0 0.946748 0.787265 0.712684 Biso 1.000000 O
O47 1.0 0.883097 0.619325 0.512719 Biso 1.000000 O
O48 1.0 0.882721 0.611166 0.987713 Biso 1.000000 O
O49 1.0 0.034463 0.124812 0.150204 Biso 1.000000 O
O50 1.0 0.037981 0.119900 0.612884 Biso 1.000000 O
O51 1.0 0.452122 0.327743 0.372143 Biso 1.000000 O
O52 1.0 0.443861 0.325260 0.868234 Biso 1.000000 O
O53 1.0 0.841345 0.937175 0.122251 Biso 1.000000 O
O54 1.0 0.861654 0.935893 0.651489 Biso 1.000000 O
O55 1.0 0.643021 0.522330 0.352248 Biso 1.000000 O
O56 1.0 0.649192 0.522575 0.885144 Biso 1.000000 O
O57 1.0 0.981259 0.321873 0.382644 Biso 1.000000 O
O58 1.0 0.985570 0.298255 0.882738 Biso 1.000000 O
O59 1.0 0.208354 0.108968 0.365418 Biso 1.000000 O
O60 1.0 0.234545 0.108416 0.871598 Biso 1.000000 O
O61 1.0 0.487757 0.127222 0.136069 Biso 1.000000 O
O62 1.0 0.492913 0.148386 0.629275 Biso 1.000000 O
O63 1.0 0.246633 0.376898 0.125110 Biso 1.000000 O
O64 1.0 0.248620 0.374919 0.627138 Biso 1.000000 O
O65 1.0 0.667882 0.979723 0.382040 Biso 1.000000 O
O66 1.0 0.646739 0.987293 0.879173 Biso 1.000000 O
O67 1.0 0.876254 0.741250 0.375029 Biso 1.000000 O
O68 1.0 0.863612 0.757817 0.873104 Biso 1.000000 O
O69 1.0 0.849915 0.481706 0.121073 Biso 1.000000 O
O70 1.0 0.825375 0.475201 0.628118 Biso 1.000000 O
O71 1.0 0.597368 0.710907 0.129556 Biso 1.000000 O
O72 1.0 0.601322 0.722090 0.625727 Biso 1.000000 O
O73 1.0 0.983742 0.448071 0.245124 Biso 1.000000 O
O74 1.0 0.980655 0.422027 0.746168 Biso 1.000000 O
O75 1.0 0.508741 1.000460 1.002070 Biso 1.000000 O
O76 1.0 0.527355 -0.003868 0.502385 Biso 1.000000 O
O77 1.0 0.530883 0.993894 0.255314 Biso 1.000000 O
O78 1.0 0.533636 0.998922 0.735505 Biso 1.000000 O
O79 1.0 0.977814 0.455020 0.991193 Biso 1.000000 O
O80 1.0 0.962743 0.459140 0.503689 Biso 1.000000 O
O81 1.0 0.260114 0.240292 0.001310 Biso 1.000000 O
O82 1.0 0.231661 0.232310 0.502703 Biso 1.000000 O
O83 1.0 0.736095 0.719786 0.005714 Biso 1.000000 O
O84 1.0 0.739284 0.729360 0.499567 Biso 1.000000 O
O85 1.0 0.265860 0.219818 0.223769 Biso 1.000000 O
O86 1.0 0.285604 0.226651 0.731242 Biso 1.000000 O
O87 1.0 0.746923 0.701545 0.241223 Biso 1.000000 O
O88 1.0 0.759680 0.713308 0.725258 Biso 1.000000 O
O89 1.0 0.846395 0.132868 0.104837 Biso 1.000000 O
O90 1.0 0.843355 0.118186 0.596632 Biso 1.000000 O
O91 1.0 0.037034 0.933348 0.117402 Biso 1.000000 O
O92 1.0 0.053163 0.926045 0.623891 Biso 1.000000 O
O93 1.0 0.649826 0.330421 0.364942 Biso 1.000000 O
O94 1.0 0.637056 0.324346 0.884931 Biso 1.000000 O
O95 1.0 0.447425 0.521563 0.362911 Biso 1.000000 O
O96 1.0 0.456656 0.520905 0.855393 Biso 1.000000 O
O97 1.0 0.667656 0.303876 0.633902 Biso 1.000000 O
O98 1.0 0.618491 0.504706 0.667495 Biso 1.000000 O
O99 1.0 0.418260 0.563363 0.631975 Biso 1.000000 O
O100 1.0 0.474470 0.361259 0.589885 Biso 1.000000 O
Si1 1.0 0.244198 0.354245 0.019239 Biso 1.000000 Si
Si2 1.0 0.464894 0.100818 0.031854 Biso 1.000000 Si
Si3 1.0 0.006681 0.339211 0.278132 Biso 1.000000 Si
Si4 1.0 0.008510 0.316255 0.776859 Biso 1.000000 Si
Si5 1.0 0.637657 0.735699 0.229644 Biso 1.000000 Si
Si6 1.0 0.883598 0.497692 0.224415 Biso 1.000000 Si
Si7 1.0 0.850119 0.720647 0.975384 Biso 1.000000 Si
Si8 1.0 0.622052 0.943358 0.479005 Biso 1.000000 Si
Si9 1.0 0.613077 0.959379 0.980587 Biso 1.000000 Si
Si10 1.0 0.246365 0.121629 0.468623 Biso 1.000000 Si
Si11 1.0 0.248838 0.123720 0.977992 Biso 1.000000 Si
Si12 1.0 0.010212 0.358049 0.483098 Biso 1.000000 Si
Si13 1.0 0.021502 0.350584 0.976263 Biso 1.000000 Si
Si14 1.0 0.234280 0.330888 0.224600 Biso 1.000000 Si
Si15 1.0 0.238904 0.330741 0.727576 Biso 1.000000 Si
Si16 1.0 0.477529 0.092434 0.239679 Biso 1.000000 Si
Si17 1.0 0.480378 0.098053 0.730515 Biso 1.000000 Si
Si18 1.0 0.862710 0.716266 0.270093 Biso 1.000000 Si
Si19 1.0 0.868144 0.714893 0.771768 Biso 1.000000 Si
Si20 1.0 0.641146 0.965736 0.277330 Biso 1.000000 Si
Si21 1.0 0.637115 0.965938 0.773213 Biso 1.000000 Si
Si22 1.0 0.621268 0.731424 0.024823 Biso 1.000000 Si
Si23 1.0 0.622725 0.726970 0.520333 Biso 1.000000 Si
Si24 1.0 0.874737 0.496360 0.015706 Biso 1.000000 Si
Si25 1.0 0.949967 0.196097 0.132754 Biso 1.000000 Si
Si26 1.0 0.946771 0.184286 0.621998 Biso 1.000000 Si
Si27 1.0 0.102505 0.039878 0.123844 Biso 1.000000 Si
Si28 1.0 0.111616 0.036054 0.619748 Biso 1.000000 Si
Si29 1.0 0.544127 0.264193 0.378129 Biso 1.000000 Si
Si30 1.0 0.530937 0.256663 0.882451 Biso 1.000000 Si
Si31 1.0 0.383278 0.420565 0.872511 Biso 1.000000 Si
Si32 1.0 0.777471 0.029566 0.124013 Biso 1.000000 Si
Si33 1.0 0.784611 0.013524 0.629110 Biso 1.000000 Si
Si34 1.0 0.930032 0.868445 0.123323 Biso 1.000000 Si
Si35 1.0 0.944848 0.864095 0.630721 Biso 1.000000 Si
Si36 1.0 0.714832 0.438029 0.365983 Biso 1.000000 Si
Si37 1.0 0.708540 0.427646 0.879031 Biso 1.000000 Si
Si38 1.0 0.553643 0.587465 0.371935 Biso 1.000000 Si
Si39 1.0 0.559328 0.590184 0.875204 Biso 1.000000 Si
Si40 1.0 0.860319 0.501736 0.524174 Biso 1.000000 Si
Si41 1.0 0.381355 0.415332 0.373408 Biso 1.000000 Si
Si42 1.0 0.854665 0.725629 0.480324 Biso 1.000000 Si
Si43 1.0 0.254880 0.108583 0.265825 Biso 1.000000 Si
Si44 1.0 0.263463 0.113499 0.766983 Biso 1.000000 Si
Si45 1.0 0.646216 0.737039 0.725123 Biso 1.000000 Si
Si46 1.0 0.233186 0.348838 0.522019 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC5
_database_code_depnum_ccdc_archive 'CCDC 2195177'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   13.64760
_cell_length_b                   13.64760
_cell_length_c                   15.01510
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.17890
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.890308 0.488006 0.738305 Biso 1.000000 Al
Al2 1.0 0.472799 0.098059 0.517299 Biso 1.000000 Al
Al3 1.0 0.708347 0.412958 0.676653 Biso 1.000000 Al
Al4 1.0 0.508864 0.465793 0.630789 Biso 1.000000 Al
Al5 1.0 0.555416 0.278858 0.587764 Biso 1.000000 Al
Al6 1.0 0.435408 0.674594 0.643260 Biso 1.000000 Al
H1 1.0 0.616520 0.437908 0.511250 Biso 1.000000 H
H2 1.0 0.420231 0.301134 0.698016 Biso 1.000000 H
O1 1.0 0.933318 0.249026 0.224760 Biso 1.000000 O
O2 1.0 0.942783 0.229849 0.724862 Biso 1.000000 O
O3 1.0 0.187216 0.035000 0.201762 Biso 1.000000 O
O4 1.0 0.184501 0.051425 0.708307 Biso 1.000000 O
O5 1.0 0.355547 0.101124 0.482478 Biso 1.000000 O
O6 1.0 0.350148 0.081303 0.013581 Biso 1.000000 O
O7 1.0 0.538697 0.215246 0.477931 Biso 1.000000 O
O8 1.0 0.518523 0.196623 0.975097 Biso 1.000000 O
O9 1.0 0.329466 0.402651 0.471186 Biso 1.000000 O
O10 1.0 0.335407 0.421134 0.970085 Biso 1.000000 O
O11 1.0 0.120236 0.322625 0.251890 Biso 1.000000 O
O12 1.0 0.126331 0.303875 0.764603 Biso 1.000000 O
O13 1.0 0.699907 0.009367 0.041535 Biso 1.000000 O
O14 1.0 0.710288 0.977226 0.550431 Biso 1.000000 O
O15 1.0 0.923521 0.794385 0.036214 Biso 1.000000 O
O16 1.0 0.927305 0.806811 0.534565 Biso 1.000000 O
O17 1.0 0.908986 0.611151 0.255605 Biso 1.000000 O
O18 1.0 0.904453 0.606346 0.774205 Biso 1.000000 O
O19 1.0 0.795591 0.441242 0.288108 Biso 1.000000 O
O20 1.0 0.775333 0.423449 0.784940 Biso 1.000000 O
O21 1.0 0.560091 0.673588 0.297664 Biso 1.000000 O
O22 1.0 0.574352 0.668645 0.793725 Biso 1.000000 O
O23 1.0 0.595105 0.837712 0.995630 Biso 1.000000 O
O24 1.0 0.595809 0.827156 0.478572 Biso 1.000000 O
O25 1.0 0.538414 0.173727 0.304095 Biso 1.000000 O
O26 1.0 0.538474 0.179804 0.798416 Biso 1.000000 O
O27 1.0 0.299060 0.400827 0.296123 Biso 1.000000 O
O28 1.0 0.301604 0.409477 0.794135 Biso 1.000000 O
O29 1.0 0.142193 0.378834 0.980251 Biso 1.000000 O
O30 1.0 0.133912 0.388533 0.486728 Biso 1.000000 O
O31 1.0 0.987728 0.273850 0.057285 Biso 1.000000 O
O32 1.0 0.976764 0.273902 0.554107 Biso 1.000000 O
O33 1.0 0.155747 0.059446 0.026859 Biso 1.000000 O
O34 1.0 0.172191 0.039240 0.527971 Biso 1.000000 O
O35 1.0 0.365895 0.067950 0.267783 Biso 1.000000 O
O36 1.0 0.372213 0.067172 0.753428 Biso 1.000000 O
O37 1.0 0.765077 0.452727 0.464857 Biso 1.000000 O
O38 1.0 0.787273 0.429573 0.963528 Biso 1.000000 O
O39 1.0 0.564124 0.632240 0.470483 Biso 1.000000 O
O40 1.0 0.553663 0.645517 0.966790 Biso 1.000000 O
O41 1.0 0.647241 0.848827 0.244979 Biso 1.000000 O
O42 1.0 0.647927 0.849170 0.745087 Biso 1.000000 O
O43 1.0 0.725394 0.033121 0.216372 Biso 1.000000 O
O44 1.0 0.732135 0.032143 0.721551 Biso 1.000000 O
O45 1.0 0.922510 0.800772 0.215312 Biso 1.000000 O
O46 1.0 0.941237 0.787356 0.713178 Biso 1.000000 O
O47 1.0 0.886070 0.615272 0.510418 Biso 1.000000 O
O48 1.0 0.881469 0.610053 0.987149 Biso 1.000000 O
O49 1.0 0.034939 0.120292 0.147897 Biso 1.000000 O
O50 1.0 0.038923 0.116369 0.622563 Biso 1.000000 O
O51 1.0 0.451321 0.323588 0.358982 Biso 1.000000 O
O52 1.0 0.441779 0.318396 0.864427 Biso 1.000000 O
O53 1.0 0.845476 0.935212 0.121603 Biso 1.000000 O
O54 1.0 0.862630 0.936319 0.644180 Biso 1.000000 O
O55 1.0 0.642761 0.520843 0.352415 Biso 1.000000 O
O56 1.0 0.658721 0.527348 0.881475 Biso 1.000000 O
O57 1.0 0.986340 0.314418 0.382192 Biso 1.000000 O
O58 1.0 0.985821 0.300513 0.885449 Biso 1.000000 O
O59 1.0 0.211453 0.108473 0.365189 Biso 1.000000 O
O60 1.0 0.237081 0.107054 0.871332 Biso 1.000000 O
O61 1.0 0.491626 0.124713 0.135906 Biso 1.000000 O
O62 1.0 0.499458 0.146642 0.628015 Biso 1.000000 O
O63 1.0 0.253714 0.376727 0.126394 Biso 1.000000 O
O64 1.0 0.243092 0.370303 0.628507 Biso 1.000000 O
O65 1.0 0.674354 0.976481 0.378535 Biso 1.000000 O
O66 1.0 0.649341 0.978716 0.876392 Biso 1.000000 O
O67 1.0 0.865411 0.740750 0.376391 Biso 1.000000 O
O68 1.0 0.857097 0.754884 0.872283 Biso 1.000000 O
O69 1.0 0.851098 0.484865 0.124049 Biso 1.000000 O
O70 1.0 0.828967 0.471806 0.629213 Biso 1.000000 O
O71 1.0 0.594098 0.707328 0.128445 Biso 1.000000 O
O72 1.0 0.590915 0.710442 0.625797 Biso 1.000000 O
O73 1.0 0.983539 0.442989 0.246604 Biso 1.000000 O
O74 1.0 0.989109 0.424243 0.747221 Biso 1.000000 O
O75 1.0 0.512248 1.001601 0.998897 Biso 1.000000 O
O76 1.0 0.529194 -0.001168 0.491277 Biso 1.000000 O
O77 1.0 0.533310 0.989568 0.253845 Biso 1.000000 O
O78 1.0 0.538844 0.997222 0.732947 Biso 1.000000 O
O79 1.0 0.978267 0.455159 0.994918 Biso 1.000000 O
O80 1.0 0.960464 0.452873 0.499115 Biso 1.000000 O
O81 1.0 0.256006 0.237477 0.002530 Biso 1.000000 O
O82 1.0 0.224769 0.229066 0.504638 Biso 1.000000 O
O83 1.0 0.737119 0.721714 0.009744 Biso 1.000000 O
O84 1.0 0.742484 0.724179 0.514219 Biso 1.000000 O
O85 1.0 0.270859 0.219765 0.224800 Biso 1.000000 O
O86 1.0 0.290452 0.227853 0.733176 Biso 1.000000 O
O87 1.0 0.745747 0.694444 0.237750 Biso 1.000000 O
O88 1.0 0.756744 0.703954 0.722734 Biso 1.000000 O
O89 1.0 0.847923 0.130074 0.100768 Biso 1.000000 O
O90 1.0 0.847208 0.122279 0.596778 Biso 1.000000 O
O91 1.0 0.040672 0.928340 0.120944 Biso 1.000000 O
O92 1.0 0.055031 0.923250 0.629092 Biso 1.000000 O
O93 1.0 0.650238 0.328152 0.364596 Biso 1.000000 O
O94 1.0 0.635893 0.328691 0.884495 Biso 1.000000 O
O95 1.0 0.446434 0.518735 0.363288 Biso 1.000000 O
O96 1.0 0.462213 0.514410 0.855842 Biso 1.000000 O
O97 1.0 0.672003 0.299158 0.632650 Biso 1.000000 O
O98 1.0 0.621491 0.493029 0.684414 Biso 1.000000 O
O99 1.0 0.550534 0.407538 0.527825 Biso 1.000000 O
O100 1.0 0.462729 0.335669 0.652873 Biso 1.000000 O
O101 1.0 0.427904 0.550283 0.633410 Biso 1.000000 O
O102 1.0 0.392999 0.780531 0.651132 Biso 1.000000 O
Si1 1.0 0.245906 0.352680 0.020712 Biso 1.000000 Si
Si2 1.0 0.468236 0.100968 0.031272 Biso 1.000000 Si
Si3 1.0 0.006902 0.333161 0.276944 Biso 1.000000 Si
Si4 1.0 0.010547 0.316765 0.779807 Biso 1.000000 Si
Si5 1.0 0.637307 0.731663 0.227510 Biso 1.000000 Si
Si6 1.0 0.885223 0.495836 0.227512 Biso 1.000000 Si
Si7 1.0 0.849494 0.719885 0.975678 Biso 1.000000 Si
Si8 1.0 0.625779 0.947071 0.476030 Biso 1.000000 Si
Si9 1.0 0.614059 0.955652 0.977978 Biso 1.000000 Si
Si10 1.0 0.243488 0.119339 0.470028 Biso 1.000000 Si
Si11 1.0 0.250026 0.121330 0.978102 Biso 1.000000 Si
Si12 1.0 0.015664 0.355866 0.481107 Biso 1.000000 Si
Si13 1.0 0.023163 0.351469 0.979238 Biso 1.000000 Si
Si14 1.0 0.235709 0.329356 0.225204 Biso 1.000000 Si
Si15 1.0 0.237797 0.329594 0.729617 Biso 1.000000 Si
Si16 1.0 0.481110 0.089233 0.239488 Biso 1.000000 Si
Si17 1.0 0.487411 0.097145 0.728960 Biso 1.000000 Si
Si18 1.0 0.860155 0.712665 0.271228 Biso 1.000000 Si
Si19 1.0 0.865622 0.711962 0.771367 Biso 1.000000 Si
Si20 1.0 0.644247 0.962370 0.274574 Biso 1.000000 Si
Si21 1.0 0.641282 0.963495 0.769766 Biso 1.000000 Si
Si22 1.0 0.620695 0.729344 0.024548 Biso 1.000000 Si
Si23 1.0 0.625313 0.726597 0.519770 Biso 1.000000 Si
Si24 1.0 0.874855 0.496296 0.018287 Biso 1.000000 Si
Si25 1.0 0.950939 0.192399 0.131793 Biso 1.000000 Si
Si26 1.0 0.951320 0.185176 0.624904 Biso 1.000000 Si
Si27 1.0 0.104923 0.036107 0.123985 Biso 1.000000 Si
Si28 1.0 0.113472 0.033111 0.621750 Biso 1.000000 Si
Si29 1.0 0.543657 0.262348 0.375806 Biso 1.000000 Si
Si30 1.0 0.533350 0.255200 0.881278 Biso 1.000000 Si
Si31 1.0 0.384993 0.416415 0.871980 Biso 1.000000 Si
Si32 1.0 0.779952 0.026239 0.120590 Biso 1.000000 Si
Si33 1.0 0.787643 0.017290 0.627267 Biso 1.000000 Si
Si34 1.0 0.932570 0.864834 0.123582 Biso 1.000000 Si
Si35 1.0 0.945893 0.863209 0.630078 Biso 1.000000 Si
Si36 1.0 0.714243 0.435968 0.365797 Biso 1.000000 Si
Si37 1.0 0.712838 0.428159 0.879881 Biso 1.000000 Si
Si38 1.0 0.552209 0.585370 0.370342 Biso 1.000000 Si
Si39 1.0 0.562952 0.587194 0.873414 Biso 1.000000 Si
Si40 1.0 0.860717 0.497852 0.524243 Biso 1.000000 Si
Si41 1.0 0.382122 0.411168 0.373896 Biso 1.000000 Si
Si42 1.0 0.855981 0.722542 0.482780 Biso 1.000000 Si
Si43 1.0 0.258645 0.108071 0.266054 Biso 1.000000 Si
Si44 1.0 0.269211 0.112677 0.767359 Biso 1.000000 Si
Si45 1.0 0.646208 0.733591 0.724355 Biso 1.000000 Si
Si46 1.0 0.233459 0.346715 0.522745 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC6
_database_code_depnum_ccdc_archive 'CCDC 2195176'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   13.64760
_cell_length_b                   13.64760
_cell_length_c                   15.01510
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.17890
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.877937 0.485828 0.735857 Biso 1.000000 Al
Al2 1.0 0.474135 0.103886 0.514609 Biso 1.000000 Al
Al3 1.0 0.542093 0.271802 0.596368 Biso 1.000000 Al
Al4 1.0 0.682724 0.432323 0.670276 Biso 1.000000 Al
Al5 1.0 0.564358 0.571400 0.663907 Biso 1.000000 Al
Al6 1.0 0.437326 0.428387 0.677059 Biso 1.000000 Al
O1 1.0 0.930404 0.257441 0.231315 Biso 1.000000 O
O2 1.0 0.967066 0.231256 0.725241 Biso 1.000000 O
O3 1.0 0.181236 0.035593 0.205253 Biso 1.000000 O
O4 1.0 0.169821 0.043280 0.715167 Biso 1.000000 O
O5 1.0 0.361225 0.107201 0.470382 Biso 1.000000 O
O6 1.0 0.346068 0.074807 0.014357 Biso 1.000000 O
O7 1.0 0.542735 0.220968 0.480380 Biso 1.000000 O
O8 1.0 0.518540 0.186582 0.975910 Biso 1.000000 O
O9 1.0 0.323716 0.413979 0.469322 Biso 1.000000 O
O10 1.0 0.316536 0.426825 0.958109 Biso 1.000000 O
O11 1.0 0.118549 0.334753 0.249521 Biso 1.000000 O
O12 1.0 0.137398 0.337357 0.779344 Biso 1.000000 O
O13 1.0 0.693299 0.028228 0.047868 Biso 1.000000 O
O14 1.0 0.717020 0.979635 0.549496 Biso 1.000000 O
O15 1.0 0.925870 0.793778 0.042840 Biso 1.000000 O
O16 1.0 0.920545 0.803120 0.536390 Biso 1.000000 O
O17 1.0 0.908445 0.619069 0.240392 Biso 1.000000 O
O18 1.0 0.895326 0.607625 0.766317 Biso 1.000000 O
O19 1.0 0.786716 0.454044 0.281695 Biso 1.000000 O
O20 1.0 0.756782 0.435893 0.780027 Biso 1.000000 O
O21 1.0 0.560155 0.669334 0.293872 Biso 1.000000 O
O22 1.0 0.591471 0.647141 0.779273 Biso 1.000000 O
O23 1.0 0.613718 0.847916 1.002675 Biso 1.000000 O
O24 1.0 0.583471 0.833175 0.494465 Biso 1.000000 O
O25 1.0 0.531939 0.177012 0.306115 Biso 1.000000 O
O26 1.0 0.522698 0.187653 0.798102 Biso 1.000000 O
O27 1.0 0.300808 0.403470 0.293898 Biso 1.000000 O
O28 1.0 0.337094 0.403393 0.774722 Biso 1.000000 O
O29 1.0 0.135887 0.363379 0.986794 Biso 1.000000 O
O30 1.0 0.132598 0.389539 0.492585 Biso 1.000000 O
O31 1.0 0.972918 0.275128 0.060755 Biso 1.000000 O
O32 1.0 0.969320 0.278437 0.553714 Biso 1.000000 O
O33 1.0 0.151880 0.072088 0.032237 Biso 1.000000 O
O34 1.0 0.189759 0.043187 0.535910 Biso 1.000000 O
O35 1.0 0.359652 0.070434 0.269527 Biso 1.000000 O
O36 1.0 0.361210 0.064640 0.752410 Biso 1.000000 O
O37 1.0 0.777566 0.438676 0.458406 Biso 1.000000 O
O38 1.0 0.794600 0.430135 0.954909 Biso 1.000000 O
O39 1.0 0.553878 0.642364 0.471060 Biso 1.000000 O
O40 1.0 0.559817 0.668153 0.952615 Biso 1.000000 O
O41 1.0 0.632993 0.847498 0.240314 Biso 1.000000 O
O42 1.0 0.623334 0.847311 0.765047 Biso 1.000000 O
O43 1.0 0.720962 0.029528 0.222686 Biso 1.000000 O
O44 1.0 0.725842 0.023073 0.722227 Biso 1.000000 O
O45 1.0 0.920574 0.813533 0.220038 Biso 1.000000 O
O46 1.0 0.956282 0.790863 0.712844 Biso 1.000000 O
O47 1.0 0.870007 0.612874 0.515689 Biso 1.000000 O
O48 1.0 0.889841 0.610378 0.986292 Biso 1.000000 O
O49 1.0 0.034426 0.130782 0.156299 Biso 1.000000 O
O50 1.0 0.042733 0.119568 0.608794 Biso 1.000000 O
O51 1.0 0.448661 0.327009 0.368260 Biso 1.000000 O
O52 1.0 0.452171 0.329987 0.889252 Biso 1.000000 O
O53 1.0 0.834338 0.934012 0.115760 Biso 1.000000 O
O54 1.0 0.865425 0.936303 0.649112 Biso 1.000000 O
O55 1.0 0.644965 0.526385 0.368265 Biso 1.000000 O
O56 1.0 0.646612 0.516792 0.901069 Biso 1.000000 O
O57 1.0 0.988169 0.323720 0.384678 Biso 1.000000 O
O58 1.0 0.985231 0.293170 0.887894 Biso 1.000000 O
O59 1.0 0.205298 0.110049 0.368101 Biso 1.000000 O
O60 1.0 0.230658 0.104072 0.875289 Biso 1.000000 O
O61 1.0 0.485897 0.121998 0.138302 Biso 1.000000 O
O62 1.0 0.494673 0.141466 0.629667 Biso 1.000000 O
O63 1.0 0.257842 0.377943 0.124944 Biso 1.000000 O
O64 1.0 0.244086 0.374292 0.629741 Biso 1.000000 O
O65 1.0 0.670708 0.966430 0.380572 Biso 1.000000 O
O66 1.0 0.649785 0.991698 0.882298 Biso 1.000000 O
O67 1.0 0.876267 0.735121 0.376289 Biso 1.000000 O
O68 1.0 0.878972 0.759461 0.874548 Biso 1.000000 O
O69 1.0 0.850443 0.481254 0.119070 Biso 1.000000 O
O70 1.0 0.830457 0.457398 0.628440 Biso 1.000000 O
O71 1.0 0.602482 0.703374 0.123317 Biso 1.000000 O
O72 1.0 0.602591 0.716394 0.630373 Biso 1.000000 O
O73 1.0 0.978773 0.451227 0.249296 Biso 1.000000 O
O74 1.0 0.977600 0.425996 0.759399 Biso 1.000000 O
O75 1.0 0.506002 0.993716 1.003785 Biso 1.000000 O
O76 1.0 0.533523 0.005930 0.495534 Biso 1.000000 O
O77 1.0 0.527424 0.991834 0.260720 Biso 1.000000 O
O78 1.0 0.531185 1.001355 0.743007 Biso 1.000000 O
O79 1.0 0.982446 0.454875 0.992732 Biso 1.000000 O
O80 1.0 0.966638 0.464285 0.503223 Biso 1.000000 O
O81 1.0 0.270415 0.239926 0.001566 Biso 1.000000 O
O82 1.0 0.229166 0.233591 0.504328 Biso 1.000000 O
O83 1.0 0.744117 0.719106 0.001150 Biso 1.000000 O
O84 1.0 0.736896 0.737714 0.496003 Biso 1.000000 O
O85 1.0 0.262619 0.221407 0.226680 Biso 1.000000 O
O86 1.0 0.270118 0.220477 0.734489 Biso 1.000000 O
O87 1.0 0.746749 0.703606 0.241819 Biso 1.000000 O
O88 1.0 0.768303 0.738306 0.730564 Biso 1.000000 O
O89 1.0 0.845015 0.131286 0.113753 Biso 1.000000 O
O90 1.0 0.848871 0.124393 0.609752 Biso 1.000000 O
O91 1.0 0.031801 0.940036 0.118923 Biso 1.000000 O
O92 1.0 0.054638 0.924891 0.613848 Biso 1.000000 O
O93 1.0 0.646150 0.333117 0.358862 Biso 1.000000 O
O94 1.0 0.643467 0.317479 0.890459 Biso 1.000000 O
O95 1.0 0.447428 0.521016 0.362678 Biso 1.000000 O
O96 1.0 0.453652 0.529557 0.867544 Biso 1.000000 O
O97 1.0 0.657744 0.314278 0.628737 Biso 1.000000 O
O98 1.0 0.559200 0.449554 0.729293 Biso 1.000000 O
O99 1.0 0.671776 0.544146 0.614359 Biso 1.000000 O
O100 1.0 0.439815 0.548634 0.640954 Biso 1.000000 O
O101 1.0 0.436836 0.325728 0.612026 Biso 1.000000 O
Si1 1.0 0.244547 0.350625 0.020324 Biso 1.000000 Si
Si2 1.0 0.463839 0.095103 0.034190 Biso 1.000000 Si
Si3 1.0 0.005676 0.343178 0.279707 Biso 1.000000 Si
Si4 1.0 0.015291 0.323960 0.785596 Biso 1.000000 Si
Si5 1.0 0.636028 0.731068 0.225469 Biso 1.000000 Si
Si6 1.0 0.880582 0.501392 0.222912 Biso 1.000000 Si
Si7 1.0 0.859689 0.720438 0.975776 Biso 1.000000 Si
Si8 1.0 0.626325 0.948766 0.480729 Biso 1.000000 Si
Si9 1.0 0.615510 0.964072 0.983784 Biso 1.000000 Si
Si10 1.0 0.248094 0.124446 0.469739 Biso 1.000000 Si
Si11 1.0 0.249469 0.122554 0.980948 Biso 1.000000 Si
Si12 1.0 0.014145 0.363531 0.484651 Biso 1.000000 Si
Si13 1.0 0.017537 0.346224 0.981869 Biso 1.000000 Si
Si14 1.0 0.233811 0.333625 0.224684 Biso 1.000000 Si
Si15 1.0 0.239718 0.330286 0.729211 Biso 1.000000 Si
Si16 1.0 0.475342 0.090875 0.243120 Biso 1.000000 Si
Si17 1.0 0.476836 0.099444 0.732127 Biso 1.000000 Si
Si18 1.0 0.862544 0.718151 0.270360 Biso 1.000000 Si
Si19 1.0 0.876887 0.719894 0.771852 Biso 1.000000 Si
Si20 1.0 0.636768 0.958984 0.277361 Biso 1.000000 Si
Si21 1.0 0.634137 0.967229 0.777817 Biso 1.000000 Si
Si22 1.0 0.631235 0.735337 0.021623 Biso 1.000000 Si
Si23 1.0 0.622116 0.730756 0.520507 Biso 1.000000 Si
Si24 1.0 0.878395 0.495482 0.014469 Biso 1.000000 Si
Si25 1.0 0.946098 0.197852 0.140292 Biso 1.000000 Si
Si26 1.0 0.956182 0.188758 0.624251 Biso 1.000000 Si
Si27 1.0 0.099939 0.044646 0.128047 Biso 1.000000 Si
Si28 1.0 0.114050 0.034076 0.618783 Biso 1.000000 Si
Si29 1.0 0.542343 0.266123 0.377721 Biso 1.000000 Si
Si30 1.0 0.535082 0.254735 0.887800 Biso 1.000000 Si
Si31 1.0 0.391118 0.421887 0.875895 Biso 1.000000 Si
Si32 1.0 0.774264 0.029029 0.126207 Biso 1.000000 Si
Si33 1.0 0.789756 0.016440 0.630918 Biso 1.000000 Si
Si34 1.0 0.927363 0.870784 0.124918 Biso 1.000000 Si
Si35 1.0 0.947615 0.862896 0.627898 Biso 1.000000 Si
Si36 1.0 0.714608 0.438713 0.367561 Biso 1.000000 Si
Si37 1.0 0.708633 0.424492 0.880389 Biso 1.000000 Si
Si38 1.0 0.551973 0.588754 0.374097 Biso 1.000000 Si
Si39 1.0 0.564098 0.586663 0.875420 Biso 1.000000 Si
Si40 1.0 0.857594 0.494222 0.527407 Biso 1.000000 Si
Si41 1.0 0.380240 0.416016 0.374568 Biso 1.000000 Si
Si42 1.0 0.850949 0.720215 0.481175 Biso 1.000000 Si
Si43 1.0 0.252349 0.110099 0.268720 Biso 1.000000 Si
Si44 1.0 0.256790 0.107230 0.770245 Biso 1.000000 Si
Si45 1.0 0.653177 0.745346 0.728812 Biso 1.000000 Si
Si46 1.0 0.234720 0.350632 0.522927 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC7
_database_code_depnum_ccdc_archive 'CCDC 2195178'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   13.64760
_cell_length_b                   13.64760
_cell_length_c                   15.01510
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.17890
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.863334 0.477822 0.736530 Biso 1.000000 Al
Al2 1.0 0.475568 0.111350 0.517819 Biso 1.000000 Al
Al3 1.0 0.575071 0.278596 0.591785 Biso 1.000000 Al
H1 1.0 0.764730 0.385694 0.618797 Biso 1.000000 H
H2 1.0 0.468023 0.406508 0.608839 Biso 1.000000 H
H3 1.0 0.741020 0.235504 0.607319 Biso 1.000000 H
O1 1.0 0.928386 0.259966 0.226726 Biso 1.000000 O
O2 1.0 0.946387 0.222589 0.725465 Biso 1.000000 O
O3 1.0 0.179323 0.037574 0.203109 Biso 1.000000 O
O4 1.0 0.172818 0.051286 0.713175 Biso 1.000000 O
O5 1.0 0.360611 0.110626 0.476687 Biso 1.000000 O
O6 1.0 0.339620 0.071640 0.018552 Biso 1.000000 O
O7 1.0 0.546587 0.226327 0.478672 Biso 1.000000 O
O8 1.0 0.502429 0.190036 0.975080 Biso 1.000000 O
O9 1.0 0.326852 0.409564 0.470486 Biso 1.000000 O
O10 1.0 0.331097 0.427275 0.972504 Biso 1.000000 O
O11 1.0 0.115987 0.328911 0.254056 Biso 1.000000 O
O12 1.0 0.121842 0.320755 0.753912 Biso 1.000000 O
O13 1.0 0.693376 0.022495 0.042375 Biso 1.000000 O
O14 1.0 0.715863 0.970336 0.549008 Biso 1.000000 O
O15 1.0 0.920206 0.796620 0.037568 Biso 1.000000 O
O16 1.0 0.916469 0.804041 0.538092 Biso 1.000000 O
O17 1.0 0.911584 0.620281 0.247373 Biso 1.000000 O
O18 1.0 0.887550 0.602185 0.756467 Biso 1.000000 O
O19 1.0 0.786314 0.455945 0.279137 Biso 1.000000 O
O20 1.0 0.764103 0.419014 0.794270 Biso 1.000000 O
O21 1.0 0.558529 0.671119 0.293712 Biso 1.000000 O
O22 1.0 0.585879 0.658773 0.790760 Biso 1.000000 O
O23 1.0 0.605259 0.844022 0.995473 Biso 1.000000 O
O24 1.0 0.580098 0.833315 0.483541 Biso 1.000000 O
O25 1.0 0.529698 0.173920 0.306686 Biso 1.000000 O
O26 1.0 0.531583 0.187526 0.800062 Biso 1.000000 O
O27 1.0 0.296288 0.403051 0.295616 Biso 1.000000 O
O28 1.0 0.298779 0.411669 0.797301 Biso 1.000000 O
O29 1.0 0.139643 0.370800 0.980194 Biso 1.000000 O
O30 1.0 0.131569 0.389374 0.496200 Biso 1.000000 O
O31 1.0 0.979429 0.275297 0.056056 Biso 1.000000 O
O32 1.0 0.967288 0.276996 0.555931 Biso 1.000000 O
O33 1.0 0.147005 0.072312 0.028946 Biso 1.000000 O
O34 1.0 0.184179 0.042256 0.534295 Biso 1.000000 O
O35 1.0 0.358034 0.067924 0.269208 Biso 1.000000 O
O36 1.0 0.364995 0.071604 0.747032 Biso 1.000000 O
O37 1.0 0.773792 0.439787 0.454292 Biso 1.000000 O
O38 1.0 0.781808 0.432632 0.971473 Biso 1.000000 O
O39 1.0 0.550060 0.639910 0.470173 Biso 1.000000 O
O40 1.0 0.551226 0.654662 0.964609 Biso 1.000000 O
O41 1.0 0.639772 0.849863 0.249060 Biso 1.000000 O
O42 1.0 0.623770 0.848658 0.754541 Biso 1.000000 O
O43 1.0 0.717965 0.033474 0.218548 Biso 1.000000 O
O44 1.0 0.725592 0.026107 0.720312 Biso 1.000000 O
O45 1.0 0.919111 0.811829 0.216704 Biso 1.000000 O
O46 1.0 0.949737 0.787873 0.713687 Biso 1.000000 O
O47 1.0 0.865540 0.612907 0.516135 Biso 1.000000 O
O48 1.0 0.887803 0.611164 0.987246 Biso 1.000000 O
O49 1.0 0.029960 0.128930 0.155049 Biso 1.000000 O
O50 1.0 0.034961 0.114127 0.609943 Biso 1.000000 O
O51 1.0 0.449033 0.327746 0.364495 Biso 1.000000 O
O52 1.0 0.444167 0.329093 0.870670 Biso 1.000000 O
O53 1.0 0.834947 0.937091 0.117397 Biso 1.000000 O
O54 1.0 0.868681 0.940965 0.649779 Biso 1.000000 O
O55 1.0 0.640055 0.524569 0.365358 Biso 1.000000 O
O56 1.0 0.642340 0.514991 0.890811 Biso 1.000000 O
O57 1.0 0.986008 0.318738 0.386815 Biso 1.000000 O
O58 1.0 0.987005 0.297263 0.882239 Biso 1.000000 O
O59 1.0 0.206455 0.108375 0.368279 Biso 1.000000 O
O60 1.0 0.234945 0.106382 0.873688 Biso 1.000000 O
O61 1.0 0.483634 0.122965 0.137701 Biso 1.000000 O
O62 1.0 0.500536 0.161633 0.630393 Biso 1.000000 O
O63 1.0 0.249102 0.376855 0.127181 Biso 1.000000 O
O64 1.0 0.257558 0.375386 0.628870 Biso 1.000000 O
O65 1.0 0.666324 0.979959 0.381223 Biso 1.000000 O
O66 1.0 0.641334 0.989497 0.876994 Biso 1.000000 O
O67 1.0 0.876248 0.739468 0.377283 Biso 1.000000 O
O68 1.0 0.868062 0.751878 0.870444 Biso 1.000000 O
O69 1.0 0.861278 0.485008 0.122688 Biso 1.000000 O
O70 1.0 0.814553 0.453675 0.621407 Biso 1.000000 O
O71 1.0 0.601313 0.711967 0.126534 Biso 1.000000 O
O72 1.0 0.598837 0.717602 0.624992 Biso 1.000000 O
O73 1.0 0.980275 0.451565 0.257752 Biso 1.000000 O
O74 1.0 0.968484 0.420047 0.743461 Biso 1.000000 O
O75 1.0 0.504538 0.996540 1.002961 Biso 1.000000 O
O76 1.0 0.535299 0.011632 0.505683 Biso 1.000000 O
O77 1.0 0.525616 0.989943 0.257356 Biso 1.000000 O
O78 1.0 0.532719 1.006223 0.731512 Biso 1.000000 O
O79 1.0 0.978202 0.454375 0.987215 Biso 1.000000 O
O80 1.0 0.963651 0.461471 0.503666 Biso 1.000000 O
O81 1.0 0.265818 0.240014 0.003074 Biso 1.000000 O
O82 1.0 0.226186 0.232996 0.504945 Biso 1.000000 O
O83 1.0 0.738383 0.717693 0.001650 Biso 1.000000 O
O84 1.0 0.731589 0.733279 0.493019 Biso 1.000000 O
O85 1.0 0.264088 0.221447 0.228365 Biso 1.000000 O
O86 1.0 0.278725 0.228268 0.735260 Biso 1.000000 O
O87 1.0 0.746339 0.701093 0.243498 Biso 1.000000 O
O88 1.0 0.760401 0.730291 0.722262 Biso 1.000000 O
O89 1.0 0.842507 0.134440 0.108384 Biso 1.000000 O
O90 1.0 0.840160 0.124167 0.600726 Biso 1.000000 O
O91 1.0 0.031431 0.938273 0.117375 Biso 1.000000 O
O92 1.0 0.055801 0.921941 0.619622 Biso 1.000000 O
O93 1.0 0.646553 0.332116 0.353086 Biso 1.000000 O
O94 1.0 0.635242 0.319262 0.902279 Biso 1.000000 O
O95 1.0 0.443669 0.521547 0.360650 Biso 1.000000 O
O96 1.0 0.452091 0.525892 0.857435 Biso 1.000000 O
O97 1.0 0.533581 0.387477 0.615140 Biso 1.000000 O
O98 1.0 0.702078 0.290735 0.612054 Biso 1.000000 O
Si1 1.0 0.245306 0.353048 0.021367 Biso 1.000000 Si
Si2 1.0 0.458170 0.095349 0.033897 Biso 1.000000 Si
Si3 1.0 0.003494 0.340438 0.281484 Biso 1.000000 Si
Si4 1.0 0.004803 0.319400 0.776279 Biso 1.000000 Si
Si5 1.0 0.637098 0.733880 0.228074 Biso 1.000000 Si
Si6 1.0 0.884935 0.503594 0.226418 Biso 1.000000 Si
Si7 1.0 0.853237 0.719116 0.973623 Biso 1.000000 Si
Si8 1.0 0.623130 0.949950 0.480261 Biso 1.000000 Si
Si9 1.0 0.611311 0.961519 0.979345 Biso 1.000000 Si
Si10 1.0 0.246000 0.123725 0.470664 Biso 1.000000 Si
Si11 1.0 0.246836 0.123080 0.980507 Biso 1.000000 Si
Si12 1.0 0.013255 0.360599 0.486060 Biso 1.000000 Si
Si13 1.0 0.020326 0.348993 0.976392 Biso 1.000000 Si
Si14 1.0 0.230594 0.331712 0.226266 Biso 1.000000 Si
Si15 1.0 0.237180 0.334755 0.729837 Biso 1.000000 Si
Si16 1.0 0.473255 0.089058 0.241431 Biso 1.000000 Si
Si17 1.0 0.481251 0.106584 0.730401 Biso 1.000000 Si
Si18 1.0 0.862393 0.719252 0.271355 Biso 1.000000 Si
Si19 1.0 0.866646 0.713690 0.767145 Biso 1.000000 Si
Si20 1.0 0.636973 0.963338 0.277236 Biso 1.000000 Si
Si21 1.0 0.631556 0.965920 0.771582 Biso 1.000000 Si
Si22 1.0 0.624876 0.732978 0.021933 Biso 1.000000 Si
Si23 1.0 0.616067 0.731476 0.519182 Biso 1.000000 Si
Si24 1.0 0.876634 0.496388 0.016336 Biso 1.000000 Si
Si25 1.0 0.945085 0.199488 0.135526 Biso 1.000000 Si
Si26 1.0 0.949276 0.184152 0.623653 Biso 1.000000 Si
Si27 1.0 0.097260 0.044440 0.125684 Biso 1.000000 Si
Si28 1.0 0.111958 0.033219 0.620098 Biso 1.000000 Si
Si29 1.0 0.542385 0.266736 0.373633 Biso 1.000000 Si
Si30 1.0 0.528457 0.257852 0.887908 Biso 1.000000 Si
Si31 1.0 0.382473 0.423372 0.874712 Biso 1.000000 Si
Si32 1.0 0.772869 0.030884 0.122419 Biso 1.000000 Si
Si33 1.0 0.787228 0.013788 0.629085 Biso 1.000000 Si
Si34 1.0 0.925691 0.870701 0.122129 Biso 1.000000 Si
Si35 1.0 0.946413 0.862274 0.630419 Biso 1.000000 Si
Si36 1.0 0.711735 0.439444 0.362065 Biso 1.000000 Si
Si37 1.0 0.707083 0.422307 0.886491 Biso 1.000000 Si
Si38 1.0 0.548504 0.589417 0.372415 Biso 1.000000 Si
Si39 1.0 0.559309 0.587753 0.875715 Biso 1.000000 Si
Si40 1.0 0.855533 0.494491 0.521441 Biso 1.000000 Si
Si41 1.0 0.378900 0.415496 0.372970 Biso 1.000000 Si
Si42 1.0 0.847201 0.722427 0.481250 Biso 1.000000 Si
Si43 1.0 0.251455 0.109181 0.267926 Biso 1.000000 Si
Si44 1.0 0.260841 0.114472 0.768453 Biso 1.000000 Si
Si45 1.0 0.643425 0.738543 0.724159 Biso 1.000000 Si
Si46 1.0 0.234689 0.350326 0.524838 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC8
_database_code_depnum_ccdc_archive 'CCDC 2195180'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   20.24050
_cell_length_b                   20.01540
_cell_length_c                   13.43920
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.113136 0.057069 0.463094 Biso 1.000000 Al
Al2 1.0 0.324853 0.331842 0.314098 Biso 1.000000 Al
Al3 1.0 0.181525 0.175511 0.478388 Biso 1.000000 Al
Al4 1.0 0.257961 0.266036 0.455949 Biso 1.000000 Al
O1 1.0 0.870550 0.073655 0.776403 Biso 1.000000 O
O2 1.0 0.364442 0.446367 0.769741 Biso 1.000000 O
O3 1.0 0.116914 0.937011 0.204697 Biso 1.000000 O
O4 1.0 0.637654 0.558489 0.224764 Biso 1.000000 O
O5 1.0 0.819528 0.049551 0.951421 Biso 1.000000 O
O6 1.0 0.300164 0.428564 0.601615 Biso 1.000000 O
O7 1.0 0.184104 0.952121 0.045472 Biso 1.000000 O
O8 1.0 0.702658 0.572139 0.393477 Biso 1.000000 O
O9 1.0 0.702679 0.039634 0.037256 Biso 1.000000 O
O10 1.0 0.199761 0.441162 0.471143 Biso 1.000000 O
O11 1.0 0.295618 0.960764 0.944087 Biso 1.000000 O
O12 1.0 0.800546 0.558140 0.526767 Biso 1.000000 O
O13 1.0 0.597735 0.067778 0.921739 Biso 1.000000 O
O14 1.0 0.101098 0.430167 0.598333 Biso 1.000000 O
O15 1.0 0.389237 0.932533 0.078314 Biso 1.000000 O
O16 1.0 0.898424 0.572475 0.395763 Biso 1.000000 O
O17 1.0 0.620160 0.062158 0.726020 Biso 1.000000 O
O18 1.0 0.108904 0.452125 0.793727 Biso 1.000000 O
O19 1.0 0.372160 0.957515 0.272632 Biso 1.000000 O
O20 1.0 0.893012 0.553181 0.200453 Biso 1.000000 O
O21 1.0 0.741230 0.054507 0.794283 Biso 1.000000 O
O22 1.0 0.235302 0.472439 0.758580 Biso 1.000000 O
O23 1.0 0.248941 0.939931 0.214053 Biso 1.000000 O
O24 1.0 0.766073 0.530502 0.232630 Biso 1.000000 O
O25 1.0 0.875604 0.832670 0.775073 Biso 1.000000 O
O26 1.0 0.362534 0.665703 0.750577 Biso 1.000000 O
O27 1.0 0.127858 0.165168 0.229377 Biso 1.000000 O
O28 1.0 0.642490 0.334979 0.241524 Biso 1.000000 O
O29 1.0 0.813692 0.852722 0.942291 Biso 1.000000 O
O30 1.0 0.298879 0.669583 0.583333 Biso 1.000000 O
O31 1.0 0.187057 0.154499 0.054721 Biso 1.000000 O
O32 1.0 0.701096 0.334921 0.413260 Biso 1.000000 O
O33 1.0 0.693028 0.848817 0.014799 Biso 1.000000 O
O34 1.0 0.190516 0.648284 0.475162 Biso 1.000000 O
O35 1.0 0.308073 0.152649 0.979537 Biso 1.000000 O
O36 1.0 0.811240 0.352536 0.517459 Biso 1.000000 O
O37 1.0 0.575352 0.841790 0.931093 Biso 1.000000 O
O38 1.0 0.089660 0.673598 0.596873 Biso 1.000000 O
O39 1.0 0.425728 0.167134 0.065944 Biso 1.000000 O
O40 1.0 0.911114 0.327855 0.393682 Biso 1.000000 O
O41 1.0 0.617281 0.837979 0.741069 Biso 1.000000 O
O42 1.0 0.107437 0.654406 0.789589 Biso 1.000000 O
O43 1.0 0.388246 0.158820 0.254181 Biso 1.000000 O
O44 1.0 0.894742 0.348702 0.200736 Biso 1.000000 O
O45 1.0 0.745099 0.850313 0.774086 Biso 1.000000 O
O46 1.0 0.233692 0.636222 0.746629 Biso 1.000000 O
O47 1.0 0.259384 0.160006 0.217730 Biso 1.000000 O
O48 1.0 0.770286 0.364467 0.251347 Biso 1.000000 O
O49 1.0 0.824530 0.952411 0.813587 Biso 1.000000 O
O50 1.0 0.320316 0.552028 0.668550 Biso 1.000000 O
O51 1.0 0.185838 0.051886 0.180087 Biso 1.000000 O
O52 1.0 0.681071 0.450283 0.320438 Biso 1.000000 O
O53 1.0 0.588602 0.953062 0.827223 Biso 1.000000 O
O54 1.0 0.081239 0.551547 0.668824 Biso 1.000000 O
O55 1.0 0.420846 0.049798 0.152448 Biso 1.000000 O
O56 1.0 0.914624 0.451529 0.324823 Biso 1.000000 O
O57 1.0 0.924581 0.132189 0.620261 Biso 1.000000 O
O58 1.0 0.428754 0.378765 0.908719 Biso 1.000000 O
O59 1.0 0.083662 0.866929 0.366196 Biso 1.000000 O
O60 1.0 0.573545 0.621882 0.079762 Biso 1.000000 O
O61 1.0 0.888039 0.004526 0.611446 Biso 1.000000 O
O62 1.0 0.417044 0.509901 0.926957 Biso 1.000000 O
O63 1.0 0.107905 0.997346 0.375673 Biso 1.000000 O
O64 1.0 0.585423 0.489830 0.072281 Biso 1.000000 O
O65 1.0 0.892368 0.871634 0.588501 Biso 1.000000 O
O66 1.0 0.403894 0.641169 0.933694 Biso 1.000000 O
O67 1.0 0.101584 0.143437 0.426161 Biso 1.000000 O
O68 1.0 0.609402 0.359566 0.053596 Biso 1.000000 O
O69 1.0 0.710597 0.137463 0.644792 Biso 1.000000 O
O70 1.0 0.196590 0.373389 0.878234 Biso 1.000000 O
O71 1.0 0.299331 0.862382 0.353528 Biso 1.000000 O
O72 1.0 0.804854 0.628111 0.111003 Biso 1.000000 O
O73 1.0 0.713993 0.006672 0.614934 Biso 1.000000 O
O74 1.0 0.186552 0.499337 0.937560 Biso 1.000000 O
O75 1.0 0.272362 0.989066 0.395065 Biso 1.000000 O
O76 1.0 0.820106 0.501196 0.057297 Biso 1.000000 O
O77 1.0 0.697729 0.876108 0.592724 Biso 1.000000 O
O78 1.0 0.192893 0.632735 0.934854 Biso 1.000000 O
O79 1.0 0.305596 0.117858 0.392782 Biso 1.000000 O
O80 1.0 0.804575 0.368114 0.059646 Biso 1.000000 O
O81 1.0 0.501078 0.050418 0.787334 Biso 1.000000 O
O82 1.0 0.993340 0.454814 0.706234 Biso 1.000000 O
O83 1.0 0.491807 0.942665 0.202356 Biso 1.000000 O
O84 1.0 0.006797 0.545268 0.288823 Biso 1.000000 O
O85 1.0 0.493260 0.866301 0.784399 Biso 1.000000 O
O86 1.0 0.987973 0.640786 0.712924 Biso 1.000000 O
O87 1.0 0.511494 0.138587 0.209882 Biso 1.000000 O
O88 1.0 0.012542 0.369502 0.281277 Biso 1.000000 O
O89 1.0 0.936661 0.754191 0.643170 Biso 1.000000 O
O90 1.0 0.434943 0.754714 0.848343 Biso 1.000000 O
O91 1.0 0.051887 0.251735 0.336525 Biso 1.000000 O
O92 1.0 0.571194 0.247958 0.142179 Biso 1.000000 O
O93 1.0 0.699787 0.752461 0.658308 Biso 1.000000 O
O94 1.0 0.196655 0.746816 0.843912 Biso 1.000000 O
O95 1.0 0.317027 0.245108 0.351970 Biso 1.000000 O
O96 1.0 0.806745 0.253705 0.152706 Biso 1.000000 O
O97 1.0 0.775671 0.748192 0.051141 Biso 1.000000 O
O98 1.0 0.276860 0.743523 0.426109 Biso 1.000000 O
O99 1.0 0.227451 0.253471 0.936338 Biso 1.000000 O
O100 1.0 0.728872 0.252846 0.560945 Biso 1.000000 O
O101 1.0 0.611047 0.747895 0.059324 Biso 1.000000 O
O102 1.0 0.106070 0.749759 0.441551 Biso 1.000000 O
O103 1.0 0.388299 0.254767 0.932293 Biso 1.000000 O
O104 1.0 0.895791 0.251941 0.552327 Biso 1.000000 O
O105 1.0 0.863859 0.437687 0.716279 Biso 1.000000 O
O106 1.0 0.375974 0.049693 0.736342 Biso 1.000000 O
O107 1.0 0.135955 0.562563 0.271955 Biso 1.000000 O
O108 1.0 0.612239 0.955032 0.270789 Biso 1.000000 O
O109 1.0 0.804780 0.433106 0.890713 Biso 1.000000 O
O110 1.0 0.320035 0.046871 0.557677 Biso 1.000000 O
O111 1.0 0.201741 0.569547 0.102659 Biso 1.000000 O
O112 1.0 0.675580 0.957476 0.441162 Biso 1.000000 O
O113 1.0 0.703862 0.449237 0.017643 Biso 1.000000 O
O114 1.0 0.199088 0.082437 0.486522 Biso 1.000000 O
O115 1.0 0.300468 0.560736 0.968960 Biso 1.000000 O
O116 1.0 0.798168 0.940878 0.502877 Biso 1.000000 O
O117 1.0 0.602289 0.434021 0.893894 Biso 1.000000 O
O118 1.0 0.065829 0.048162 0.566080 Biso 1.000000 O
O119 1.0 0.398760 0.573701 0.099769 Biso 1.000000 O
O120 1.0 0.923105 0.950789 0.440788 Biso 1.000000 O
O121 1.0 0.608356 0.450467 0.698277 Biso 1.000000 O
O122 1.0 0.116718 0.078218 0.742677 Biso 1.000000 O
O123 1.0 0.392408 0.547674 0.293265 Biso 1.000000 O
O124 1.0 0.872888 0.924418 0.262738 Biso 1.000000 O
O125 1.0 0.735656 0.466211 0.732485 Biso 1.000000 O
O126 1.0 0.245051 0.057819 0.715047 Biso 1.000000 O
O127 1.0 0.263810 0.533177 0.264005 Biso 1.000000 O
O128 1.0 0.742070 0.936079 0.274563 Biso 1.000000 O
O129 1.0 0.862280 0.670833 0.744617 Biso 1.000000 O
O130 1.0 0.376835 0.833325 0.715665 Biso 1.000000 O
O131 1.0 0.134801 0.334030 0.242250 Biso 1.000000 O
O132 1.0 0.629126 0.170355 0.278719 Biso 1.000000 O
O133 1.0 0.807200 0.655784 0.917923 Biso 1.000000 O
O134 1.0 0.314635 0.844485 0.546374 Biso 1.000000 O
O135 1.0 0.192779 0.343647 0.070891 Biso 1.000000 O
O136 1.0 0.689793 0.149160 0.449769 Biso 1.000000 O
O137 1.0 0.693025 0.647787 0.012408 Biso 1.000000 O
O138 1.0 0.194602 0.845310 0.470848 Biso 1.000000 O
O139 1.0 0.308218 0.355604 0.978507 Biso 1.000000 O
O140 1.0 0.811395 0.151599 0.521357 Biso 1.000000 O
O141 1.0 0.588904 0.674966 0.899260 Biso 1.000000 O
O142 1.0 0.079913 0.853589 0.562857 Biso 1.000000 O
O143 1.0 0.413356 0.328892 0.091373 Biso 1.000000 O
O144 1.0 0.924614 0.153753 0.426189 Biso 1.000000 O
O145 1.0 0.609441 0.659875 0.705312 Biso 1.000000 O
O146 1.0 0.117773 0.829741 0.750426 Biso 1.000000 O
O147 1.0 0.404429 0.351427 0.286803 Biso 1.000000 O
O148 1.0 0.887403 0.166836 0.235545 Biso 1.000000 O
O149 1.0 0.734041 0.641218 0.755344 Biso 1.000000 O
O150 1.0 0.245093 0.830832 0.711241 Biso 1.000000 O
O151 1.0 0.265341 0.359132 0.234189 Biso 1.000000 O
O152 1.0 0.761014 0.168553 0.287636 Biso 1.000000 O
O153 1.0 0.825089 0.550380 0.801344 Biso 1.000000 O
O154 1.0 0.308030 0.943736 0.680535 Biso 1.000000 O
O155 1.0 0.176180 0.451180 0.183674 Biso 1.000000 O
O156 1.0 0.693124 0.056107 0.307697 Biso 1.000000 O
O157 1.0 0.583887 0.554038 0.818916 Biso 1.000000 O
O158 1.0 0.090067 0.952668 0.696895 Biso 1.000000 O
O159 1.0 0.422326 0.451787 0.159804 Biso 1.000000 O
O160 1.0 0.909709 0.047437 0.307798 Biso 1.000000 O
O161 1.0 0.933348 0.377432 0.575069 Biso 1.000000 O
O162 1.0 0.417844 0.132447 0.875794 Biso 1.000000 O
O163 1.0 0.069007 0.624687 0.414328 Biso 1.000000 O
O164 1.0 0.586176 0.868814 0.124987 Biso 1.000000 O
O165 1.0 0.918139 0.508780 0.567291 Biso 1.000000 O
O166 1.0 0.416221 0.001718 0.914643 Biso 1.000000 O
O167 1.0 0.084925 0.493915 0.425897 Biso 1.000000 O
O168 1.0 0.582661 0.999599 0.087936 Biso 1.000000 O
O169 1.0 0.901977 0.640280 0.561574 Biso 1.000000 O
O170 1.0 0.388407 0.870960 0.905502 Biso 1.000000 O
O171 1.0 0.097640 0.361321 0.430711 Biso 1.000000 O
O172 1.0 0.615573 0.129687 0.090873 Biso 1.000000 O
O173 1.0 0.694422 0.375955 0.601007 Biso 1.000000 O
O174 1.0 0.203111 0.136000 0.861015 Biso 1.000000 O
O175 1.0 0.308112 0.614091 0.405734 Biso 1.000000 O
O176 1.0 0.796951 0.862940 0.135889 Biso 1.000000 O
O177 1.0 0.683326 0.505431 0.560169 Biso 1.000000 O
O178 1.0 0.183264 0.004034 0.868840 Biso 1.000000 O
O179 1.0 0.320644 0.480017 0.421680 Biso 1.000000 O
O180 1.0 0.809490 0.996365 0.129441 Biso 1.000000 O
O181 1.0 0.698733 0.638159 0.563348 Biso 1.000000 O
O182 1.0 0.203119 0.873565 0.889535 Biso 1.000000 O
O183 1.0 0.293124 0.350409 0.442530 Biso 1.000000 O
O184 1.0 0.793532 0.126947 0.105622 Biso 1.000000 O
O185 1.0 0.493715 0.458779 0.786831 Biso 1.000000 O
O186 1.0 0.991120 0.040547 0.725411 Biso 1.000000 O
O187 1.0 0.508071 0.547688 0.206583 Biso 1.000000 O
O188 1.0 -0.000443 0.951208 0.281957 Biso 1.000000 O
O189 1.0 0.489319 0.642794 0.780148 Biso 1.000000 O
O190 1.0 0.994929 0.863169 0.712225 Biso 1.000000 O
O191 1.0 0.519164 0.364879 0.196952 Biso 1.000000 O
O192 1.0 0.010396 0.131295 0.285972 Biso 1.000000 O
O193 1.0 0.186623 0.241088 0.392474 Biso 1.000000 O
O194 1.0 0.243548 0.211208 0.554624 Biso 1.000000 O
Si1 1.0 0.919380 0.062377 0.682033 Biso 1.000000 Si
Si2 1.0 0.425419 0.448888 0.848252 Biso 1.000000 Si
Si3 1.0 0.076647 0.938586 0.309455 Biso 1.000000 Si
Si4 1.0 0.577152 0.553900 0.145875 Biso 1.000000 Si
Si5 1.0 0.813731 0.031778 0.834286 Biso 1.000000 Si
Si6 1.0 0.305398 0.475230 0.701209 Biso 1.000000 Si
Si7 1.0 0.183495 0.971370 0.161859 Biso 1.000000 Si
Si8 1.0 0.696662 0.527796 0.292454 Biso 1.000000 Si
Si9 1.0 0.780754 0.053877 0.056729 Biso 1.000000 Si
Si10 1.0 0.277647 0.427426 0.486317 Biso 1.000000 Si
Si11 1.0 0.216782 0.946804 0.936641 Biso 1.000000 Si
Si12 1.0 0.721524 0.568662 0.510814 Biso 1.000000 Si
Si13 1.0 0.624840 0.058780 0.034452 Biso 1.000000 Si
Si14 1.0 0.119876 0.431499 0.481145 Biso 1.000000 Si
Si15 1.0 0.372404 0.941167 0.960798 Biso 1.000000 Si
Si16 1.0 0.879428 0.569680 0.512716 Biso 1.000000 Si
Si17 1.0 0.576563 0.032959 0.817130 Biso 1.000000 Si
Si18 1.0 0.071037 0.472432 0.691703 Biso 1.000000 Si
Si19 1.0 0.418768 0.970373 0.175951 Biso 1.000000 Si
Si20 1.0 0.928574 0.530227 0.302913 Biso 1.000000 Si
Si21 1.0 0.697172 0.064931 0.694277 Biso 1.000000 Si
Si22 1.0 0.182222 0.449281 0.842582 Biso 1.000000 Si
Si23 1.0 0.298200 0.937555 0.308631 Biso 1.000000 Si
Si24 1.0 0.820222 0.553190 0.150248 Biso 1.000000 Si
Si25 1.0 0.924923 0.830426 0.679893 Biso 1.000000 Si
Si26 1.0 0.422920 0.675873 0.828045 Biso 1.000000 Si
Si27 1.0 0.585153 0.326967 0.158613 Biso 1.000000 Si
Si28 1.0 0.814359 0.872395 0.825536 Biso 1.000000 Si
Si29 1.0 0.303773 0.630641 0.688557 Biso 1.000000 Si
Si30 1.0 0.189749 0.132606 0.170768 Biso 1.000000 Si
Si31 1.0 0.769629 0.827959 0.035828 Biso 1.000000 Si
Si32 1.0 0.268389 0.668768 0.471769 Biso 1.000000 Si
Si33 1.0 0.231455 0.174215 0.958010 Biso 1.000000 Si
Si34 1.0 0.734123 0.329318 0.522840 Biso 1.000000 Si
Si35 1.0 0.616399 0.826893 0.032369 Biso 1.000000 Si
Si36 1.0 0.114076 0.674051 0.481873 Biso 1.000000 Si
Si37 1.0 0.384514 0.176574 0.963380 Biso 1.000000 Si
Si38 1.0 0.887692 0.327300 0.509287 Biso 1.000000 Si
Si39 1.0 0.066373 0.629739 0.692357 Biso 1.000000 Si
Si40 1.0 0.933556 0.374329 0.299901 Biso 1.000000 Si
Si41 1.0 0.690148 0.829800 0.691492 Biso 1.000000 Si
Si42 1.0 0.182613 0.667981 0.827620 Biso 1.000000 Si
Si43 1.0 0.316174 0.169451 0.301321 Biso 1.000000 Si
Si44 1.0 0.818980 0.333282 0.166604 Biso 1.000000 Si
Si45 1.0 0.926287 0.445085 0.641369 Biso 1.000000 Si
Si46 1.0 0.426632 0.058331 0.828906 Biso 1.000000 Si
Si47 1.0 0.074983 0.556231 0.349659 Biso 1.000000 Si
Si48 1.0 0.569179 0.941869 0.171000 Biso 1.000000 Si
Si49 1.0 0.807400 0.472034 0.784962 Biso 1.000000 Si
Si50 1.0 0.312489 0.024482 0.673983 Biso 1.000000 Si
Si51 1.0 0.193954 0.528409 0.205844 Biso 1.000000 Si
Si52 1.0 0.681005 0.976465 0.323857 Biso 1.000000 Si
Si53 1.0 0.783081 0.437670 0.006581 Biso 1.000000 Si
Si54 1.0 0.275787 0.057390 0.459032 Biso 1.000000 Si
Si55 1.0 0.220955 0.565220 0.986083 Biso 1.000000 Si
Si56 1.0 0.721398 0.944741 0.538703 Biso 1.000000 Si
Si57 1.0 0.625406 0.433465 0.009154 Biso 1.000000 Si
Si58 1.0 0.379523 0.571122 0.982762 Biso 1.000000 Si
Si59 1.0 0.875337 0.942500 0.536559 Biso 1.000000 Si
Si60 1.0 0.571974 0.474649 0.799755 Biso 1.000000 Si
Si61 1.0 0.065557 0.029873 0.682030 Biso 1.000000 Si
Si62 1.0 0.430527 0.529866 0.189944 Biso 1.000000 Si
Si63 1.0 0.926631 0.968597 0.323065 Biso 1.000000 Si
Si64 1.0 0.681223 0.449408 0.647584 Biso 1.000000 Si
Si65 1.0 0.187524 0.069086 0.797655 Biso 1.000000 Si
Si66 1.0 0.320547 0.544701 0.346334 Biso 1.000000 Si
Si67 1.0 0.804905 0.930816 0.200082 Biso 1.000000 Si
Si68 1.0 0.922451 0.676044 0.665743 Biso 1.000000 Si
Si69 1.0 0.423418 0.831396 0.813824 Biso 1.000000 Si
Si70 1.0 0.076694 0.328587 0.323406 Biso 1.000000 Si
Si71 1.0 0.582151 0.172016 0.180621 Biso 1.000000 Si
Si72 1.0 0.806600 0.629181 0.804383 Biso 1.000000 Si
Si73 1.0 0.311171 0.863522 0.663522 Biso 1.000000 Si
Si74 1.0 0.194185 0.371748 0.184359 Biso 1.000000 Si
Si75 1.0 0.770083 0.670129 0.022488 Biso 1.000000 Si
Si76 1.0 0.270794 0.823055 0.450063 Biso 1.000000 Si
Si77 1.0 0.231478 0.331460 0.967349 Biso 1.000000 Si
Si78 1.0 0.735223 0.173147 0.543312 Biso 1.000000 Si
Si79 1.0 0.616637 0.673154 0.012707 Biso 1.000000 Si
Si80 1.0 0.115834 0.829164 0.461019 Biso 1.000000 Si
Si81 1.0 0.384629 0.329784 0.978512 Biso 1.000000 Si
Si82 1.0 0.888922 0.172478 0.530143 Biso 1.000000 Si
Si83 1.0 0.071033 0.874792 0.678978 Biso 1.000000 Si
Si84 1.0 0.932378 0.125028 0.314115 Biso 1.000000 Si
Si85 1.0 0.685582 0.673163 0.670797 Biso 1.000000 Si
Si86 1.0 0.190627 0.821579 0.798970 Biso 1.000000 Si
Si87 1.0 0.812361 0.178081 0.195152 Biso 1.000000 Si
Si88 1.0 0.569286 0.874683 0.821011 Biso 1.000000 Si
Si89 1.0 0.567907 0.632614 0.800824 Biso 1.000000 Si
Si90 1.0 0.693113 0.135818 0.330652 Biso 1.000000 Si
Si91 1.0 0.699027 0.371679 0.306045 Biso 1.000000 Si
Si92 1.0 0.436752 0.128037 0.169840 Biso 1.000000 Si
Si93 1.0 0.439786 0.374068 0.184879 Biso 1.000000 Si
Si94 1.0 0.074695 0.175568 0.317923 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC9
_database_code_depnum_ccdc_archive 'CCDC 2195182'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   20.24050
_cell_length_b                   20.01540
_cell_length_c                   13.43920
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.119627 0.061108 0.460923 Biso 1.000000 Al
Al2 1.0 0.318983 0.322659 0.319746 Biso 1.000000 Al
Al3 1.0 0.133231 0.216438 0.505989 Biso 1.000000 Al
Al4 1.0 0.269798 0.257638 0.493454 Biso 1.000000 Al
H1 1.0 0.059602 0.276266 0.613348 Biso 1.000000 H
H2 1.0 0.222718 0.141832 0.556859 Biso 1.000000 H
H3 1.0 0.362533 0.284716 0.592503 Biso 1.000000 H
H4 1.0 0.169317 0.327014 0.437295 Biso 1.000000 H
O1 1.0 0.872365 0.073001 0.775991 Biso 1.000000 O
O2 1.0 0.363624 0.443371 0.766252 Biso 1.000000 O
O3 1.0 0.118621 0.933514 0.207136 Biso 1.000000 O
O4 1.0 0.634742 0.557245 0.225099 Biso 1.000000 O
O5 1.0 0.820707 0.050367 0.950719 Biso 1.000000 O
O6 1.0 0.296497 0.428536 0.600609 Biso 1.000000 O
O7 1.0 0.180965 0.947069 0.040341 Biso 1.000000 O
O8 1.0 0.700268 0.573039 0.393128 Biso 1.000000 O
O9 1.0 0.701889 0.041978 0.030301 Biso 1.000000 O
O10 1.0 0.199118 0.437002 0.465159 Biso 1.000000 O
O11 1.0 0.296151 0.963775 0.949631 Biso 1.000000 O
O12 1.0 0.798440 0.557501 0.525428 Biso 1.000000 O
O13 1.0 0.595321 0.068795 0.919511 Biso 1.000000 O
O14 1.0 0.099568 0.430501 0.593463 Biso 1.000000 O
O15 1.0 0.393728 0.932895 0.074499 Biso 1.000000 O
O16 1.0 0.897292 0.571720 0.396105 Biso 1.000000 O
O17 1.0 0.621397 0.060291 0.724947 Biso 1.000000 O
O18 1.0 0.108444 0.452205 0.789629 Biso 1.000000 O
O19 1.0 0.374475 0.946903 0.268409 Biso 1.000000 O
O20 1.0 0.891102 0.551476 0.201225 Biso 1.000000 O
O21 1.0 0.742626 0.055292 0.793402 Biso 1.000000 O
O22 1.0 0.234980 0.472913 0.759093 Biso 1.000000 O
O23 1.0 0.251112 0.937436 0.204296 Biso 1.000000 O
O24 1.0 0.763612 0.529870 0.233391 Biso 1.000000 O
O25 1.0 0.874006 0.833124 0.770772 Biso 1.000000 O
O26 1.0 0.361273 0.663752 0.755066 Biso 1.000000 O
O27 1.0 0.127348 0.165123 0.224051 Biso 1.000000 O
O28 1.0 0.636476 0.335192 0.246365 Biso 1.000000 O
O29 1.0 0.814090 0.851665 0.940732 Biso 1.000000 O
O30 1.0 0.298054 0.668720 0.586378 Biso 1.000000 O
O31 1.0 0.189456 0.154350 0.055169 Biso 1.000000 O
O32 1.0 0.699977 0.334297 0.413498 Biso 1.000000 O
O33 1.0 0.692919 0.846739 0.011971 Biso 1.000000 O
O34 1.0 0.188233 0.648948 0.478053 Biso 1.000000 O
O35 1.0 0.308501 0.151354 0.977307 Biso 1.000000 O
O36 1.0 0.810666 0.353278 0.515183 Biso 1.000000 O
O37 1.0 0.574350 0.841636 0.931781 Biso 1.000000 O
O38 1.0 0.083375 0.673962 0.589719 Biso 1.000000 O
O39 1.0 0.424173 0.164616 0.066306 Biso 1.000000 O
O40 1.0 0.910235 0.326761 0.391376 Biso 1.000000 O
O41 1.0 0.616129 0.837867 0.741544 Biso 1.000000 O
O42 1.0 0.106021 0.655697 0.782697 Biso 1.000000 O
O43 1.0 0.384108 0.163135 0.255984 Biso 1.000000 O
O44 1.0 0.887621 0.349519 0.198432 Biso 1.000000 O
O45 1.0 0.743830 0.851298 0.774632 Biso 1.000000 O
O46 1.0 0.232655 0.633849 0.747466 Biso 1.000000 O
O47 1.0 0.256251 0.151410 0.226246 Biso 1.000000 O
O48 1.0 0.764059 0.364909 0.247123 Biso 1.000000 O
O49 1.0 0.824551 0.952503 0.813971 Biso 1.000000 O
O50 1.0 0.320798 0.551067 0.669283 Biso 1.000000 O
O51 1.0 0.182354 0.048047 0.172137 Biso 1.000000 O
O52 1.0 0.678424 0.450483 0.323236 Biso 1.000000 O
O53 1.0 0.586372 0.952748 0.827607 Biso 1.000000 O
O54 1.0 0.080108 0.551883 0.664750 Biso 1.000000 O
O55 1.0 0.415136 0.050057 0.161946 Biso 1.000000 O
O56 1.0 0.914977 0.450443 0.325003 Biso 1.000000 O
O57 1.0 0.922727 0.132410 0.618344 Biso 1.000000 O
O58 1.0 0.429382 0.376723 0.904546 Biso 1.000000 O
O59 1.0 0.083481 0.876667 0.376195 Biso 1.000000 O
O60 1.0 0.571500 0.622038 0.081717 Biso 1.000000 O
O61 1.0 0.887444 0.004468 0.610161 Biso 1.000000 O
O62 1.0 0.414493 0.507210 0.924670 Biso 1.000000 O
O63 1.0 0.100162 0.010676 0.363094 Biso 1.000000 O
O64 1.0 0.583211 0.490182 0.070479 Biso 1.000000 O
O65 1.0 0.896841 0.872249 0.584779 Biso 1.000000 O
O66 1.0 0.405120 0.638810 0.937192 Biso 1.000000 O
O67 1.0 0.107856 0.149126 0.419701 Biso 1.000000 O
O68 1.0 0.607517 0.360006 0.056850 Biso 1.000000 O
O69 1.0 0.710765 0.137186 0.644023 Biso 1.000000 O
O70 1.0 0.194688 0.371527 0.873369 Biso 1.000000 O
O71 1.0 0.296391 0.855669 0.346280 Biso 1.000000 O
O72 1.0 0.803916 0.627083 0.111820 Biso 1.000000 O
O73 1.0 0.715991 0.006273 0.614274 Biso 1.000000 O
O74 1.0 0.185378 0.496465 0.937797 Biso 1.000000 O
O75 1.0 0.275750 0.981195 0.386987 Biso 1.000000 O
O76 1.0 0.817821 0.499702 0.058658 Biso 1.000000 O
O77 1.0 0.696929 0.875682 0.593090 Biso 1.000000 O
O78 1.0 0.187544 0.629840 0.932122 Biso 1.000000 O
O79 1.0 0.308871 0.108731 0.398461 Biso 1.000000 O
O80 1.0 0.799476 0.367055 0.055264 Biso 1.000000 O
O81 1.0 0.501241 0.050884 0.782069 Biso 1.000000 O
O82 1.0 0.992853 0.454199 0.703673 Biso 1.000000 O
O83 1.0 0.493773 0.945368 0.200709 Biso 1.000000 O
O84 1.0 0.005786 0.544521 0.289572 Biso 1.000000 O
O85 1.0 0.491892 0.864439 0.784960 Biso 1.000000 O
O86 1.0 0.985763 0.639412 0.711135 Biso 1.000000 O
O87 1.0 0.508085 0.138625 0.211289 Biso 1.000000 O
O88 1.0 0.006119 0.363554 0.266403 Biso 1.000000 O
O89 1.0 0.936853 0.754274 0.642448 Biso 1.000000 O
O90 1.0 0.432393 0.753895 0.851805 Biso 1.000000 O
O91 1.0 0.062441 0.253887 0.341577 Biso 1.000000 O
O92 1.0 0.569831 0.246995 0.142009 Biso 1.000000 O
O93 1.0 0.699173 0.752316 0.660245 Biso 1.000000 O
O94 1.0 0.195194 0.745213 0.843788 Biso 1.000000 O
O95 1.0 0.301730 0.237039 0.364053 Biso 1.000000 O
O96 1.0 0.801334 0.253604 0.149825 Biso 1.000000 O
O97 1.0 0.776525 0.747187 0.049688 Biso 1.000000 O
O98 1.0 0.273530 0.744608 0.433382 Biso 1.000000 O
O99 1.0 0.226951 0.251994 0.933730 Biso 1.000000 O
O100 1.0 0.729148 0.253222 0.561803 Biso 1.000000 O
O101 1.0 0.609723 0.747669 0.060260 Biso 1.000000 O
O102 1.0 0.108603 0.754426 0.439159 Biso 1.000000 O
O103 1.0 0.388896 0.252923 0.930322 Biso 1.000000 O
O104 1.0 0.894242 0.252153 0.550915 Biso 1.000000 O
O105 1.0 0.863284 0.436146 0.715321 Biso 1.000000 O
O106 1.0 0.376211 0.047051 0.734415 Biso 1.000000 O
O107 1.0 0.134081 0.561995 0.265038 Biso 1.000000 O
O108 1.0 0.612560 0.956514 0.270216 Biso 1.000000 O
O109 1.0 0.803717 0.434764 0.889245 Biso 1.000000 O
O110 1.0 0.323592 0.034121 0.556004 Biso 1.000000 O
O111 1.0 0.203086 0.568855 0.100262 Biso 1.000000 O
O112 1.0 0.676006 0.956709 0.441373 Biso 1.000000 O
O113 1.0 0.701078 0.450190 0.013820 Biso 1.000000 O
O114 1.0 0.202641 0.061105 0.494957 Biso 1.000000 O
O115 1.0 0.298696 0.561508 0.962863 Biso 1.000000 O
O116 1.0 0.798631 0.938038 0.503080 Biso 1.000000 O
O117 1.0 0.598499 0.432043 0.893931 Biso 1.000000 O
O118 1.0 0.067961 0.052617 0.560891 Biso 1.000000 O
O119 1.0 0.394598 0.566511 0.099438 Biso 1.000000 O
O120 1.0 0.922116 0.953560 0.437111 Biso 1.000000 O
O121 1.0 0.608023 0.449807 0.698822 Biso 1.000000 O
O122 1.0 0.118145 0.078122 0.740297 Biso 1.000000 O
O123 1.0 0.390997 0.550738 0.295144 Biso 1.000000 O
O124 1.0 0.871718 0.925828 0.259849 Biso 1.000000 O
O125 1.0 0.735440 0.467837 0.730401 Biso 1.000000 O
O126 1.0 0.247003 0.059210 0.712152 Biso 1.000000 O
O127 1.0 0.262686 0.535548 0.265673 Biso 1.000000 O
O128 1.0 0.741424 0.935417 0.274061 Biso 1.000000 O
O129 1.0 0.861218 0.672869 0.745656 Biso 1.000000 O
O130 1.0 0.376219 0.830193 0.713830 Biso 1.000000 O
O131 1.0 0.132800 0.335108 0.235447 Biso 1.000000 O
O132 1.0 0.625776 0.168288 0.279513 Biso 1.000000 O
O133 1.0 0.805752 0.652800 0.918506 Biso 1.000000 O
O134 1.0 0.315482 0.849428 0.543780 Biso 1.000000 O
O135 1.0 0.193572 0.344487 0.066129 Biso 1.000000 O
O136 1.0 0.687802 0.150674 0.449967 Biso 1.000000 O
O137 1.0 0.691838 0.647456 0.015183 Biso 1.000000 O
O138 1.0 0.195042 0.850334 0.474001 Biso 1.000000 O
O139 1.0 0.307900 0.354770 0.970139 Biso 1.000000 O
O140 1.0 0.810366 0.151949 0.517943 Biso 1.000000 O
O141 1.0 0.588614 0.673904 0.900684 Biso 1.000000 O
O142 1.0 0.079848 0.850872 0.568196 Biso 1.000000 O
O143 1.0 0.410743 0.328914 0.087439 Biso 1.000000 O
O144 1.0 0.923565 0.154200 0.424019 Biso 1.000000 O
O145 1.0 0.608801 0.659388 0.706664 Biso 1.000000 O
O146 1.0 0.118351 0.833263 0.755999 Biso 1.000000 O
O147 1.0 0.399009 0.335778 0.283644 Biso 1.000000 O
O148 1.0 0.883959 0.168919 0.234539 Biso 1.000000 O
O149 1.0 0.733551 0.640234 0.754956 Biso 1.000000 O
O150 1.0 0.244538 0.823691 0.705112 Biso 1.000000 O
O151 1.0 0.262861 0.351513 0.234429 Biso 1.000000 O
O152 1.0 0.757736 0.169797 0.286673 Biso 1.000000 O
O153 1.0 0.826836 0.550698 0.796728 Biso 1.000000 O
O154 1.0 0.304357 0.940077 0.692490 Biso 1.000000 O
O155 1.0 0.179891 0.450593 0.182772 Biso 1.000000 O
O156 1.0 0.693964 0.056117 0.309885 Biso 1.000000 O
O157 1.0 0.582915 0.553181 0.819595 Biso 1.000000 O
O158 1.0 0.089314 0.954314 0.692109 Biso 1.000000 O
O159 1.0 0.415832 0.447131 0.175305 Biso 1.000000 O
O160 1.0 0.911040 0.048886 0.301764 Biso 1.000000 O
O161 1.0 0.933075 0.377466 0.572230 Biso 1.000000 O
O162 1.0 0.418400 0.131359 0.873923 Biso 1.000000 O
O163 1.0 0.068886 0.632943 0.401189 Biso 1.000000 O
O164 1.0 0.587796 0.868788 0.125762 Biso 1.000000 O
O165 1.0 0.916371 0.508958 0.567337 Biso 1.000000 O
O166 1.0 0.417881 0.001066 0.911524 Biso 1.000000 O
O167 1.0 0.088224 0.505159 0.431052 Biso 1.000000 O
O168 1.0 0.584460 0.998312 0.084355 Biso 1.000000 O
O169 1.0 0.898721 0.640542 0.561827 Biso 1.000000 O
O170 1.0 0.385304 0.871412 0.902176 Biso 1.000000 O
O171 1.0 0.091355 0.372695 0.416000 Biso 1.000000 O
O172 1.0 0.612837 0.128783 0.091246 Biso 1.000000 O
O173 1.0 0.694452 0.376514 0.600677 Biso 1.000000 O
O174 1.0 0.203016 0.133640 0.861160 Biso 1.000000 O
O175 1.0 0.306173 0.616890 0.406615 Biso 1.000000 O
O176 1.0 0.795824 0.862599 0.134208 Biso 1.000000 O
O177 1.0 0.680937 0.505857 0.559379 Biso 1.000000 O
O178 1.0 0.185045 0.001333 0.863958 Biso 1.000000 O
O179 1.0 0.318889 0.483709 0.424704 Biso 1.000000 O
O180 1.0 0.806051 0.996077 0.127015 Biso 1.000000 O
O181 1.0 0.697435 0.638571 0.563495 Biso 1.000000 O
O182 1.0 0.211650 0.871810 0.885093 Biso 1.000000 O
O183 1.0 0.297774 0.351463 0.442372 Biso 1.000000 O
O184 1.0 0.791280 0.126821 0.104984 Biso 1.000000 O
O185 1.0 0.492289 0.459081 0.783460 Biso 1.000000 O
O186 1.0 0.992331 0.041951 0.720033 Biso 1.000000 O
O187 1.0 0.504998 0.544545 0.204765 Biso 1.000000 O
O188 1.0 0.998236 0.949834 0.276290 Biso 1.000000 O
O189 1.0 0.488710 0.642976 0.781870 Biso 1.000000 O
O190 1.0 0.995109 0.862781 0.716337 Biso 1.000000 O
O191 1.0 0.514278 0.362129 0.197673 Biso 1.000000 O
O192 1.0 0.007622 0.138152 0.280987 Biso 1.000000 O
O193 1.0 0.067065 0.234912 0.577978 Biso 1.000000 O
O194 1.0 0.214097 0.189318 0.544530 Biso 1.000000 O
O195 1.0 0.325787 0.253896 0.588766 Biso 1.000000 O
O196 1.0 0.184907 0.283676 0.460252 Biso 1.000000 O
Si1 1.0 0.919769 0.062531 0.679682 Biso 1.000000 Si
Si2 1.0 0.424344 0.447069 0.844921 Biso 1.000000 Si
Si3 1.0 0.075572 0.943917 0.308653 Biso 1.000000 Si
Si4 1.0 0.574368 0.553129 0.145780 Biso 1.000000 Si
Si5 1.0 0.814914 0.032089 0.833633 Biso 1.000000 Si
Si6 1.0 0.304452 0.474275 0.699925 Biso 1.000000 Si
Si7 1.0 0.183117 0.967160 0.156822 Biso 1.000000 Si
Si8 1.0 0.694021 0.527637 0.293130 Biso 1.000000 Si
Si9 1.0 0.779565 0.054328 0.053947 Biso 1.000000 Si
Si10 1.0 0.278327 0.426300 0.483535 Biso 1.000000 Si
Si11 1.0 0.218586 0.945376 0.934283 Biso 1.000000 Si
Si12 1.0 0.719401 0.569062 0.510354 Biso 1.000000 Si
Si13 1.0 0.623744 0.059422 0.031389 Biso 1.000000 Si
Si14 1.0 0.119131 0.437993 0.476957 Biso 1.000000 Si
Si15 1.0 0.373007 0.941861 0.958916 Biso 1.000000 Si
Si16 1.0 0.877257 0.569667 0.512841 Biso 1.000000 Si
Si17 1.0 0.575919 0.032716 0.814969 Biso 1.000000 Si
Si18 1.0 0.070204 0.472958 0.688255 Biso 1.000000 Si
Si19 1.0 0.419672 0.969428 0.175047 Biso 1.000000 Si
Si20 1.0 0.927476 0.529579 0.303393 Biso 1.000000 Si
Si21 1.0 0.698326 0.064409 0.693480 Biso 1.000000 Si
Si22 1.0 0.181221 0.448260 0.840586 Biso 1.000000 Si
Si23 1.0 0.299213 0.930544 0.300269 Biso 1.000000 Si
Si24 1.0 0.818127 0.552011 0.151204 Biso 1.000000 Si
Si25 1.0 0.925813 0.830879 0.678714 Biso 1.000000 Si
Si26 1.0 0.422156 0.674759 0.831431 Biso 1.000000 Si
Si27 1.0 0.581396 0.326223 0.160204 Biso 1.000000 Si
Si28 1.0 0.813881 0.872556 0.824324 Biso 1.000000 Si
Si29 1.0 0.303308 0.629182 0.690901 Biso 1.000000 Si
Si30 1.0 0.189080 0.128352 0.169005 Biso 1.000000 Si
Si31 1.0 0.769635 0.826925 0.033925 Biso 1.000000 Si
Si32 1.0 0.266279 0.669456 0.475745 Biso 1.000000 Si
Si33 1.0 0.232082 0.172825 0.956405 Biso 1.000000 Si
Si34 1.0 0.733680 0.329454 0.522628 Biso 1.000000 Si
Si35 1.0 0.616146 0.826438 0.032232 Biso 1.000000 Si
Si36 1.0 0.112700 0.677986 0.477424 Biso 1.000000 Si
Si37 1.0 0.384970 0.174863 0.962007 Biso 1.000000 Si
Si38 1.0 0.886795 0.327121 0.507435 Biso 1.000000 Si
Si39 1.0 0.063955 0.630160 0.687154 Biso 1.000000 Si
Si40 1.0 0.928602 0.373028 0.295746 Biso 1.000000 Si
Si41 1.0 0.689090 0.829874 0.692307 Biso 1.000000 Si
Si42 1.0 0.180441 0.666765 0.825442 Biso 1.000000 Si
Si43 1.0 0.312691 0.162819 0.309943 Biso 1.000000 Si
Si44 1.0 0.812467 0.333150 0.163041 Biso 1.000000 Si
Si45 1.0 0.925262 0.444645 0.639823 Biso 1.000000 Si
Si46 1.0 0.427146 0.057628 0.825550 Biso 1.000000 Si
Si47 1.0 0.074686 0.561321 0.345454 Biso 1.000000 Si
Si48 1.0 0.570718 0.942415 0.169672 Biso 1.000000 Si
Si49 1.0 0.807237 0.472591 0.782767 Biso 1.000000 Si
Si50 1.0 0.312597 0.020037 0.674014 Biso 1.000000 Si
Si51 1.0 0.194775 0.528644 0.203798 Biso 1.000000 Si
Si52 1.0 0.681215 0.976456 0.324380 Biso 1.000000 Si
Si53 1.0 0.780184 0.437956 0.004290 Biso 1.000000 Si
Si54 1.0 0.276775 0.045556 0.458813 Biso 1.000000 Si
Si55 1.0 0.219375 0.563880 0.982872 Biso 1.000000 Si
Si56 1.0 0.721968 0.943721 0.538745 Biso 1.000000 Si
Si57 1.0 0.622736 0.433036 0.008756 Biso 1.000000 Si
Si58 1.0 0.377783 0.568378 0.981719 Biso 1.000000 Si
Si59 1.0 0.876195 0.942668 0.534342 Biso 1.000000 Si
Si60 1.0 0.570486 0.473952 0.799310 Biso 1.000000 Si
Si61 1.0 0.066798 0.032166 0.675934 Biso 1.000000 Si
Si62 1.0 0.427093 0.526448 0.193045 Biso 1.000000 Si
Si63 1.0 0.926317 0.969641 0.318908 Biso 1.000000 Si
Si64 1.0 0.680409 0.449882 0.646903 Biso 1.000000 Si
Si65 1.0 0.188656 0.067633 0.794850 Biso 1.000000 Si
Si66 1.0 0.319224 0.547328 0.348423 Biso 1.000000 Si
Si67 1.0 0.803406 0.930699 0.198059 Biso 1.000000 Si
Si68 1.0 0.920794 0.676587 0.665300 Biso 1.000000 Si
Si69 1.0 0.421598 0.830036 0.813505 Biso 1.000000 Si
Si70 1.0 0.072732 0.332547 0.312802 Biso 1.000000 Si
Si71 1.0 0.579129 0.170917 0.181049 Biso 1.000000 Si
Si72 1.0 0.806290 0.629003 0.803679 Biso 1.000000 Si
Si73 1.0 0.310238 0.861382 0.663279 Biso 1.000000 Si
Si74 1.0 0.195189 0.370836 0.180157 Biso 1.000000 Si
Si75 1.0 0.769222 0.668977 0.022979 Biso 1.000000 Si
Si76 1.0 0.269865 0.824707 0.450566 Biso 1.000000 Si
Si77 1.0 0.231201 0.330349 0.961995 Biso 1.000000 Si
Si78 1.0 0.734577 0.173479 0.542620 Biso 1.000000 Si
Si79 1.0 0.615382 0.672732 0.014626 Biso 1.000000 Si
Si80 1.0 0.116528 0.833522 0.464386 Biso 1.000000 Si
Si81 1.0 0.384221 0.328428 0.974006 Biso 1.000000 Si
Si82 1.0 0.887967 0.172671 0.528268 Biso 1.000000 Si
Si83 1.0 0.070977 0.875936 0.682208 Biso 1.000000 Si
Si84 1.0 0.930214 0.127057 0.311262 Biso 1.000000 Si
Si85 1.0 0.684743 0.673024 0.671562 Biso 1.000000 Si
Si86 1.0 0.192282 0.819890 0.797339 Biso 1.000000 Si
Si87 1.0 0.808690 0.178570 0.193885 Biso 1.000000 Si
Si88 1.0 0.567768 0.874192 0.821501 Biso 1.000000 Si
Si89 1.0 0.567244 0.631995 0.802106 Biso 1.000000 Si
Si90 1.0 0.690852 0.135915 0.331220 Biso 1.000000 Si
Si91 1.0 0.694731 0.371707 0.307111 Biso 1.000000 Si
Si92 1.0 0.432612 0.128667 0.173537 Biso 1.000000 Si
Si93 1.0 0.434359 0.368149 0.187873 Biso 1.000000 Si
Si94 1.0 0.074812 0.175587 0.312562 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC10
_database_code_depnum_ccdc_archive 'CCDC 2195181'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   20.24050
_cell_length_b                   20.01540
_cell_length_c                   13.43920
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.119696 0.056409 0.464826 Biso 1.000000 Al
Al2 1.0 0.319812 0.327267 0.314240 Biso 1.000000 Al
Al3 1.0 0.114961 0.220755 0.489697 Biso 1.000000 Al
Al4 1.0 0.275768 0.263183 0.483257 Biso 1.000000 Al
H1 1.0 0.061602 0.211313 0.647453 Biso 1.000000 H
H2 1.0 0.328571 0.235875 0.638659 Biso 1.000000 H
O1 1.0 0.872658 0.072818 0.777389 Biso 1.000000 O
O2 1.0 0.363563 0.444679 0.768865 Biso 1.000000 O
O3 1.0 0.119006 0.932404 0.206117 Biso 1.000000 O
O4 1.0 0.636161 0.557575 0.226037 Biso 1.000000 O
O5 1.0 0.820873 0.049994 0.951768 Biso 1.000000 O
O6 1.0 0.299210 0.426769 0.601460 Biso 1.000000 O
O7 1.0 0.184054 0.947360 0.042766 Biso 1.000000 O
O8 1.0 0.702103 0.572416 0.393867 Biso 1.000000 O
O9 1.0 0.702519 0.040026 0.032700 Biso 1.000000 O
O10 1.0 0.201150 0.444203 0.469372 Biso 1.000000 O
O11 1.0 0.296561 0.963616 0.944745 Biso 1.000000 O
O12 1.0 0.799866 0.557009 0.526754 Biso 1.000000 O
O13 1.0 0.597324 0.069468 0.920558 Biso 1.000000 O
O14 1.0 0.102472 0.430854 0.598471 Biso 1.000000 O
O15 1.0 0.390665 0.931737 0.076128 Biso 1.000000 O
O16 1.0 0.898144 0.567515 0.396038 Biso 1.000000 O
O17 1.0 0.621968 0.060360 0.725481 Biso 1.000000 O
O18 1.0 0.108683 0.452148 0.794297 Biso 1.000000 O
O19 1.0 0.375204 0.947505 0.270943 Biso 1.000000 O
O20 1.0 0.892283 0.548126 0.201119 Biso 1.000000 O
O21 1.0 0.742994 0.054073 0.794080 Biso 1.000000 O
O22 1.0 0.234740 0.472508 0.757291 Biso 1.000000 O
O23 1.0 0.251592 0.940648 0.209592 Biso 1.000000 O
O24 1.0 0.764762 0.530177 0.232756 Biso 1.000000 O
O25 1.0 0.874153 0.832368 0.769775 Biso 1.000000 O
O26 1.0 0.362356 0.663577 0.752062 Biso 1.000000 O
O27 1.0 0.128197 0.166016 0.223923 Biso 1.000000 O
O28 1.0 0.641138 0.334882 0.242760 Biso 1.000000 O
O29 1.0 0.815404 0.850579 0.940524 Biso 1.000000 O
O30 1.0 0.297087 0.668252 0.585315 Biso 1.000000 O
O31 1.0 0.188186 0.153330 0.054042 Biso 1.000000 O
O32 1.0 0.701460 0.334146 0.413216 Biso 1.000000 O
O33 1.0 0.694886 0.847762 0.014520 Biso 1.000000 O
O34 1.0 0.188492 0.648416 0.476458 Biso 1.000000 O
O35 1.0 0.307182 0.150870 0.975027 Biso 1.000000 O
O36 1.0 0.810314 0.352994 0.520070 Biso 1.000000 O
O37 1.0 0.577040 0.840988 0.930935 Biso 1.000000 O
O38 1.0 0.086622 0.673634 0.595319 Biso 1.000000 O
O39 1.0 0.422774 0.163682 0.065318 Biso 1.000000 O
O40 1.0 0.908920 0.324739 0.395983 Biso 1.000000 O
O41 1.0 0.617094 0.838936 0.739762 Biso 1.000000 O
O42 1.0 0.106769 0.654635 0.787869 Biso 1.000000 O
O43 1.0 0.384917 0.160889 0.255788 Biso 1.000000 O
O44 1.0 0.892297 0.344926 0.201666 Biso 1.000000 O
O45 1.0 0.744342 0.851195 0.774893 Biso 1.000000 O
O46 1.0 0.233597 0.633916 0.749730 Biso 1.000000 O
O47 1.0 0.257388 0.152883 0.222367 Biso 1.000000 O
O48 1.0 0.768719 0.365772 0.250361 Biso 1.000000 O
O49 1.0 0.825554 0.951951 0.815195 Biso 1.000000 O
O50 1.0 0.320278 0.550810 0.667827 Biso 1.000000 O
O51 1.0 0.180995 0.048639 0.174051 Biso 1.000000 O
O52 1.0 0.680206 0.450183 0.322479 Biso 1.000000 O
O53 1.0 0.588061 0.953104 0.829405 Biso 1.000000 O
O54 1.0 0.080695 0.551399 0.668631 Biso 1.000000 O
O55 1.0 0.415237 0.048738 0.159570 Biso 1.000000 O
O56 1.0 0.921161 0.447003 0.323659 Biso 1.000000 O
O57 1.0 0.923567 0.130610 0.618669 Biso 1.000000 O
O58 1.0 0.427553 0.377500 0.907637 Biso 1.000000 O
O59 1.0 0.084079 0.871997 0.372830 Biso 1.000000 O
O60 1.0 0.573537 0.622031 0.081451 Biso 1.000000 O
O61 1.0 0.888116 0.002791 0.613312 Biso 1.000000 O
O62 1.0 0.415573 0.508725 0.925799 Biso 1.000000 O
O63 1.0 0.102105 0.005692 0.365928 Biso 1.000000 O
O64 1.0 0.584501 0.489969 0.071828 Biso 1.000000 O
O65 1.0 0.897430 0.871204 0.583784 Biso 1.000000 O
O66 1.0 0.404377 0.640371 0.935598 Biso 1.000000 O
O67 1.0 0.103336 0.140906 0.419236 Biso 1.000000 O
O68 1.0 0.606163 0.359210 0.055724 Biso 1.000000 O
O69 1.0 0.712334 0.136389 0.644877 Biso 1.000000 O
O70 1.0 0.197591 0.371637 0.873380 Biso 1.000000 O
O71 1.0 0.295573 0.858215 0.349156 Biso 1.000000 O
O72 1.0 0.806763 0.627738 0.112693 Biso 1.000000 O
O73 1.0 0.716130 0.005465 0.614557 Biso 1.000000 O
O74 1.0 0.187699 0.495972 0.938772 Biso 1.000000 O
O75 1.0 0.279093 0.985870 0.391492 Biso 1.000000 O
O76 1.0 0.817731 0.501572 0.056136 Biso 1.000000 O
O77 1.0 0.699123 0.874806 0.591873 Biso 1.000000 O
O78 1.0 0.189123 0.629631 0.935605 Biso 1.000000 O
O79 1.0 0.304797 0.115321 0.400446 Biso 1.000000 O
O80 1.0 0.804769 0.368552 0.058909 Biso 1.000000 O
O81 1.0 0.502231 0.051107 0.785499 Biso 1.000000 O
O82 1.0 0.993763 0.453516 0.706214 Biso 1.000000 O
O83 1.0 0.493276 0.943801 0.198842 Biso 1.000000 O
O84 1.0 0.007210 0.544820 0.288074 Biso 1.000000 O
O85 1.0 0.493581 0.865121 0.785552 Biso 1.000000 O
O86 1.0 0.986690 0.639485 0.713159 Biso 1.000000 O
O87 1.0 0.508152 0.137300 0.208207 Biso 1.000000 O
O88 1.0 0.010102 0.353056 0.278502 Biso 1.000000 O
O89 1.0 0.936567 0.752997 0.641589 Biso 1.000000 O
O90 1.0 0.432431 0.754733 0.849424 Biso 1.000000 O
O91 1.0 0.074281 0.249281 0.362836 Biso 1.000000 O
O92 1.0 0.570410 0.246770 0.144194 Biso 1.000000 O
O93 1.0 0.699725 0.751911 0.660507 Biso 1.000000 O
O94 1.0 0.196389 0.744943 0.846928 Biso 1.000000 O
O95 1.0 0.305063 0.241597 0.354663 Biso 1.000000 O
O96 1.0 0.801202 0.254233 0.150128 Biso 1.000000 O
O97 1.0 0.777824 0.747588 0.052341 Biso 1.000000 O
O98 1.0 0.275338 0.742919 0.429231 Biso 1.000000 O
O99 1.0 0.226504 0.252702 0.936514 Biso 1.000000 O
O100 1.0 0.729164 0.251955 0.560783 Biso 1.000000 O
O101 1.0 0.612090 0.747748 0.060305 Biso 1.000000 O
O102 1.0 0.105470 0.751637 0.441377 Biso 1.000000 O
O103 1.0 0.387447 0.253348 0.931744 Biso 1.000000 O
O104 1.0 0.892958 0.250978 0.555567 Biso 1.000000 O
O105 1.0 0.864161 0.436231 0.718355 Biso 1.000000 O
O106 1.0 0.377764 0.043598 0.736622 Biso 1.000000 O
O107 1.0 0.136215 0.562936 0.272111 Biso 1.000000 O
O108 1.0 0.611814 0.956372 0.270734 Biso 1.000000 O
O109 1.0 0.802704 0.432799 0.890231 Biso 1.000000 O
O110 1.0 0.324425 0.040522 0.558447 Biso 1.000000 O
O111 1.0 0.202384 0.566347 0.103157 Biso 1.000000 O
O112 1.0 0.677033 0.956369 0.440821 Biso 1.000000 O
O113 1.0 0.702183 0.447131 0.018724 Biso 1.000000 O
O114 1.0 0.201517 0.063147 0.498562 Biso 1.000000 O
O115 1.0 0.299640 0.561574 0.966946 Biso 1.000000 O
O116 1.0 0.799870 0.938817 0.502419 Biso 1.000000 O
O117 1.0 0.600926 0.432801 0.894482 Biso 1.000000 O
O118 1.0 0.065902 0.045339 0.561991 Biso 1.000000 O
O119 1.0 0.397136 0.569971 0.099631 Biso 1.000000 O
O120 1.0 0.923970 0.954933 0.439171 Biso 1.000000 O
O121 1.0 0.607968 0.450523 0.699117 Biso 1.000000 O
O122 1.0 0.118433 0.077429 0.738290 Biso 1.000000 O
O123 1.0 0.391726 0.549232 0.293805 Biso 1.000000 O
O124 1.0 0.871431 0.927613 0.264070 Biso 1.000000 O
O125 1.0 0.735803 0.465902 0.730296 Biso 1.000000 O
O126 1.0 0.248906 0.059716 0.717909 Biso 1.000000 O
O127 1.0 0.263558 0.530458 0.266043 Biso 1.000000 O
O128 1.0 0.740497 0.934425 0.271667 Biso 1.000000 O
O129 1.0 0.861232 0.670344 0.743505 Biso 1.000000 O
O130 1.0 0.377818 0.833286 0.712948 Biso 1.000000 O
O131 1.0 0.135945 0.329994 0.241216 Biso 1.000000 O
O132 1.0 0.623924 0.166859 0.282310 Biso 1.000000 O
O133 1.0 0.807448 0.654538 0.918834 Biso 1.000000 O
O134 1.0 0.315276 0.845868 0.544340 Biso 1.000000 O
O135 1.0 0.189366 0.346022 0.066185 Biso 1.000000 O
O136 1.0 0.688144 0.148411 0.450974 Biso 1.000000 O
O137 1.0 0.694010 0.647313 0.016129 Biso 1.000000 O
O138 1.0 0.194443 0.845722 0.475105 Biso 1.000000 O
O139 1.0 0.307448 0.354126 0.979553 Biso 1.000000 O
O140 1.0 0.811092 0.150510 0.517274 Biso 1.000000 O
O141 1.0 0.590634 0.674080 0.900745 Biso 1.000000 O
O142 1.0 0.079360 0.852329 0.566749 Biso 1.000000 O
O143 1.0 0.413751 0.327732 0.090002 Biso 1.000000 O
O144 1.0 0.925047 0.155519 0.425064 Biso 1.000000 O
O145 1.0 0.609211 0.659043 0.706476 Biso 1.000000 O
O146 1.0 0.119092 0.829152 0.752991 Biso 1.000000 O
O147 1.0 0.400220 0.343468 0.285451 Biso 1.000000 O
O148 1.0 0.881248 0.168607 0.236814 Biso 1.000000 O
O149 1.0 0.733431 0.640330 0.757092 Biso 1.000000 O
O150 1.0 0.246367 0.823185 0.708414 Biso 1.000000 O
O151 1.0 0.264597 0.355443 0.227799 Biso 1.000000 O
O152 1.0 0.755293 0.170834 0.285898 Biso 1.000000 O
O153 1.0 0.825105 0.549731 0.800932 Biso 1.000000 O
O154 1.0 0.302475 0.940753 0.686090 Biso 1.000000 O
O155 1.0 0.173831 0.449541 0.188556 Biso 1.000000 O
O156 1.0 0.694519 0.055472 0.308745 Biso 1.000000 O
O157 1.0 0.582777 0.553360 0.820642 Biso 1.000000 O
O158 1.0 0.089797 0.951872 0.699279 Biso 1.000000 O
O159 1.0 0.419811 0.448979 0.167150 Biso 1.000000 O
O160 1.0 0.915729 0.049848 0.302772 Biso 1.000000 O
O161 1.0 0.932953 0.376457 0.575656 Biso 1.000000 O
O162 1.0 0.417120 0.132041 0.872143 Biso 1.000000 O
O163 1.0 0.067639 0.627684 0.410749 Biso 1.000000 O
O164 1.0 0.588437 0.868948 0.124977 Biso 1.000000 O
O165 1.0 0.917401 0.507635 0.569348 Biso 1.000000 O
O166 1.0 0.418891 0.002315 0.916424 Biso 1.000000 O
O167 1.0 0.085123 0.497609 0.428813 Biso 1.000000 O
O168 1.0 0.584091 0.998995 0.085323 Biso 1.000000 O
O169 1.0 0.901535 0.638896 0.560457 Biso 1.000000 O
O170 1.0 0.386987 0.872256 0.902169 Biso 1.000000 O
O171 1.0 0.098086 0.366623 0.427519 Biso 1.000000 O
O172 1.0 0.614958 0.128959 0.092642 Biso 1.000000 O
O173 1.0 0.692598 0.375066 0.600896 Biso 1.000000 O
O174 1.0 0.200452 0.136242 0.859506 Biso 1.000000 O
O175 1.0 0.305907 0.614268 0.405966 Biso 1.000000 O
O176 1.0 0.799539 0.863702 0.133819 Biso 1.000000 O
O177 1.0 0.682235 0.504826 0.559439 Biso 1.000000 O
O178 1.0 0.183660 0.003595 0.868061 Biso 1.000000 O
O179 1.0 0.322621 0.481371 0.424639 Biso 1.000000 O
O180 1.0 0.807988 0.997584 0.129711 Biso 1.000000 O
O181 1.0 0.698750 0.637643 0.564788 Biso 1.000000 O
O182 1.0 0.208724 0.872993 0.884825 Biso 1.000000 O
O183 1.0 0.293304 0.351497 0.439538 Biso 1.000000 O
O184 1.0 0.790332 0.127578 0.104468 Biso 1.000000 O
O185 1.0 0.492940 0.458024 0.786629 Biso 1.000000 O
O186 1.0 0.992771 0.041172 0.723466 Biso 1.000000 O
O187 1.0 0.506725 0.546115 0.205838 Biso 1.000000 O
O188 1.0 0.998971 0.947947 0.277019 Biso 1.000000 O
O189 1.0 0.489562 0.643684 0.782545 Biso 1.000000 O
O190 1.0 0.995427 0.860753 0.716212 Biso 1.000000 O
O191 1.0 0.516848 0.362498 0.201365 Biso 1.000000 O
O192 1.0 0.005466 0.146183 0.275319 Biso 1.000000 O
O193 1.0 0.057418 0.228442 0.580492 Biso 1.000000 O
O194 1.0 0.193568 0.248257 0.490486 Biso 1.000000 O
O195 1.0 0.334046 0.240803 0.567734 Biso 1.000000 O
Si1 1.0 0.920373 0.061321 0.681700 Biso 1.000000 Si
Si2 1.0 0.424450 0.447688 0.847322 Biso 1.000000 Si
Si3 1.0 0.076453 0.940668 0.308607 Biso 1.000000 Si
Si4 1.0 0.576062 0.553471 0.146358 Biso 1.000000 Si
Si5 1.0 0.815329 0.031455 0.834732 Biso 1.000000 Si
Si6 1.0 0.304975 0.474066 0.699981 Biso 1.000000 Si
Si7 1.0 0.183799 0.967604 0.159060 Biso 1.000000 Si
Si8 1.0 0.695569 0.527562 0.293373 Biso 1.000000 Si
Si9 1.0 0.780005 0.054291 0.055193 Biso 1.000000 Si
Si10 1.0 0.278909 0.427203 0.485106 Biso 1.000000 Si
Si11 1.0 0.218429 0.946116 0.934446 Biso 1.000000 Si
Si12 1.0 0.720832 0.568254 0.511276 Biso 1.000000 Si
Si13 1.0 0.624767 0.059335 0.032818 Biso 1.000000 Si
Si14 1.0 0.121850 0.435570 0.482048 Biso 1.000000 Si
Si15 1.0 0.373148 0.942120 0.959560 Biso 1.000000 Si
Si16 1.0 0.878832 0.567828 0.513125 Biso 1.000000 Si
Si17 1.0 0.577220 0.033023 0.816568 Biso 1.000000 Si
Si18 1.0 0.071129 0.472335 0.691961 Biso 1.000000 Si
Si19 1.0 0.418979 0.968331 0.175362 Biso 1.000000 Si
Si20 1.0 0.929612 0.526808 0.302784 Biso 1.000000 Si
Si21 1.0 0.698945 0.063682 0.693957 Biso 1.000000 Si
Si22 1.0 0.182465 0.448220 0.841322 Biso 1.000000 Si
Si23 1.0 0.299833 0.933721 0.305516 Biso 1.000000 Si
Si24 1.0 0.819517 0.552029 0.150843 Biso 1.000000 Si
Si25 1.0 0.926003 0.829593 0.677880 Biso 1.000000 Si
Si26 1.0 0.422379 0.675566 0.829703 Biso 1.000000 Si
Si27 1.0 0.583079 0.325970 0.161012 Biso 1.000000 Si
Si28 1.0 0.814608 0.871950 0.824398 Biso 1.000000 Si
Si29 1.0 0.303225 0.629058 0.690105 Biso 1.000000 Si
Si30 1.0 0.189738 0.128484 0.168278 Biso 1.000000 Si
Si31 1.0 0.771612 0.827253 0.035174 Biso 1.000000 Si
Si32 1.0 0.266599 0.668255 0.473748 Biso 1.000000 Si
Si33 1.0 0.230791 0.173147 0.955950 Biso 1.000000 Si
Si34 1.0 0.733370 0.328669 0.523563 Biso 1.000000 Si
Si35 1.0 0.618048 0.826582 0.032388 Biso 1.000000 Si
Si36 1.0 0.112510 0.675742 0.481049 Biso 1.000000 Si
Si37 1.0 0.383765 0.174750 0.961322 Biso 1.000000 Si
Si38 1.0 0.886222 0.326115 0.512348 Biso 1.000000 Si
Si39 1.0 0.065154 0.629585 0.691512 Biso 1.000000 Si
Si40 1.0 0.932121 0.368375 0.300363 Biso 1.000000 Si
Si41 1.0 0.690208 0.829706 0.691632 Biso 1.000000 Si
Si42 1.0 0.181583 0.666389 0.828776 Biso 1.000000 Si
Si43 1.0 0.313036 0.165074 0.307554 Biso 1.000000 Si
Si44 1.0 0.816215 0.332980 0.165713 Biso 1.000000 Si
Si45 1.0 0.926157 0.443804 0.642758 Biso 1.000000 Si
Si46 1.0 0.427814 0.057206 0.827762 Biso 1.000000 Si
Si47 1.0 0.074890 0.558254 0.349366 Biso 1.000000 Si
Si48 1.0 0.570516 0.942210 0.169471 Biso 1.000000 Si
Si49 1.0 0.806903 0.471516 0.784534 Biso 1.000000 Si
Si50 1.0 0.313108 0.021034 0.674400 Biso 1.000000 Si
Si51 1.0 0.193908 0.526979 0.207531 Biso 1.000000 Si
Si52 1.0 0.681103 0.975882 0.323617 Biso 1.000000 Si
Si53 1.0 0.781413 0.437474 0.006034 Biso 1.000000 Si
Si54 1.0 0.275812 0.051304 0.462841 Biso 1.000000 Si
Si55 1.0 0.220315 0.563266 0.986009 Biso 1.000000 Si
Si56 1.0 0.723102 0.943468 0.538142 Biso 1.000000 Si
Si57 1.0 0.623539 0.432431 0.010008 Biso 1.000000 Si
Si58 1.0 0.378795 0.570034 0.982423 Biso 1.000000 Si
Si59 1.0 0.877262 0.942321 0.535084 Biso 1.000000 Si
Si60 1.0 0.571101 0.474050 0.800497 Biso 1.000000 Si
Si61 1.0 0.066736 0.028969 0.678245 Biso 1.000000 Si
Si62 1.0 0.429118 0.527839 0.191433 Biso 1.000000 Si
Si63 1.0 0.928032 0.970105 0.320737 Biso 1.000000 Si
Si64 1.0 0.680318 0.448892 0.647067 Biso 1.000000 Si
Si65 1.0 0.188319 0.068319 0.795781 Biso 1.000000 Si
Si66 1.0 0.320313 0.544885 0.347888 Biso 1.000000 Si
Si67 1.0 0.804417 0.931420 0.199120 Biso 1.000000 Si
Si68 1.0 0.921673 0.675116 0.664801 Biso 1.000000 Si
Si69 1.0 0.422825 0.831350 0.812728 Biso 1.000000 Si
Si70 1.0 0.079539 0.329215 0.324566 Biso 1.000000 Si
Si71 1.0 0.579353 0.170332 0.181724 Biso 1.000000 Si
Si72 1.0 0.806371 0.628533 0.804893 Biso 1.000000 Si
Si73 1.0 0.310488 0.861518 0.662706 Biso 1.000000 Si
Si74 1.0 0.193585 0.370852 0.180994 Biso 1.000000 Si
Si75 1.0 0.771283 0.669499 0.024152 Biso 1.000000 Si
Si76 1.0 0.269873 0.822765 0.450331 Biso 1.000000 Si
Si77 1.0 0.230749 0.330983 0.965251 Biso 1.000000 Si
Si78 1.0 0.735267 0.172200 0.542641 Biso 1.000000 Si
Si79 1.0 0.617544 0.672776 0.014670 Biso 1.000000 Si
Si80 1.0 0.115695 0.830787 0.464211 Biso 1.000000 Si
Si81 1.0 0.384099 0.328402 0.978115 Biso 1.000000 Si
Si82 1.0 0.888456 0.171922 0.529803 Biso 1.000000 Si
Si83 1.0 0.071374 0.873904 0.682570 Biso 1.000000 Si
Si84 1.0 0.929917 0.128919 0.311745 Biso 1.000000 Si
Si85 1.0 0.685346 0.672609 0.672300 Biso 1.000000 Si
Si86 1.0 0.192580 0.819043 0.798300 Biso 1.000000 Si
Si87 1.0 0.806816 0.179075 0.194006 Biso 1.000000 Si
Si88 1.0 0.569571 0.874564 0.821492 Biso 1.000000 Si
Si89 1.0 0.567993 0.632246 0.802642 Biso 1.000000 Si
Si90 1.0 0.689917 0.135015 0.331876 Biso 1.000000 Si
Si91 1.0 0.697803 0.371667 0.306751 Biso 1.000000 Si
Si92 1.0 0.432523 0.127171 0.171919 Biso 1.000000 Si
Si93 1.0 0.437314 0.370516 0.187637 Biso 1.000000 Si
Si94 1.0 0.076177 0.171128 0.312935 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC11
_database_code_depnum_ccdc_archive 'CCDC 2195179'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   13.64760
_cell_length_b                   13.64760
_cell_length_c                   15.01510
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.17890
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.877603 0.488065 0.737545 Biso 1.000000 Al
Al2 1.0 0.482673 0.128301 0.525912 Biso 1.000000 Al
Al3 1.0 0.705763 0.401158 0.666682 Biso 1.000000 Al
H1 1.0 0.580364 0.314233 0.570554 Biso 1.000000 H
O1 1.0 0.929351 0.260101 0.229622 Biso 1.000000 O
O2 1.0 0.947292 0.223673 0.725311 Biso 1.000000 O
O3 1.0 0.179639 0.037006 0.209171 Biso 1.000000 O
O4 1.0 0.173072 0.046393 0.716522 Biso 1.000000 O
O5 1.0 0.368141 0.122769 0.475158 Biso 1.000000 O
O6 1.0 0.343564 0.074216 0.012498 Biso 1.000000 O
O7 1.0 0.552836 0.235865 0.479449 Biso 1.000000 O
O8 1.0 0.509237 0.197432 0.981645 Biso 1.000000 O
O9 1.0 0.328359 0.408790 0.471066 Biso 1.000000 O
O10 1.0 0.334520 0.426301 0.973879 Biso 1.000000 O
O11 1.0 0.116905 0.331669 0.255384 Biso 1.000000 O
O12 1.0 0.123991 0.320519 0.757017 Biso 1.000000 O
O13 1.0 0.693711 0.024234 0.045287 Biso 1.000000 O
O14 1.0 0.716644 0.971965 0.549103 Biso 1.000000 O
O15 1.0 0.921620 0.796803 0.041315 Biso 1.000000 O
O16 1.0 0.915835 0.805556 0.536366 Biso 1.000000 O
O17 1.0 0.912290 0.622484 0.235339 Biso 1.000000 O
O18 1.0 0.893907 0.606631 0.769407 Biso 1.000000 O
O19 1.0 0.789926 0.462983 0.282425 Biso 1.000000 O
O20 1.0 0.752161 0.424930 0.775881 Biso 1.000000 O
O21 1.0 0.559167 0.671262 0.293285 Biso 1.000000 O
O22 1.0 0.583176 0.659138 0.787723 Biso 1.000000 O
O23 1.0 0.605796 0.845677 0.997326 Biso 1.000000 O
O24 1.0 0.576417 0.840119 0.488396 Biso 1.000000 O
O25 1.0 0.533466 0.176980 0.305100 Biso 1.000000 O
O26 1.0 0.532150 0.177546 0.806464 Biso 1.000000 O
O27 1.0 0.297280 0.404829 0.297030 Biso 1.000000 O
O28 1.0 0.300732 0.407551 0.798755 Biso 1.000000 O
O29 1.0 0.142754 0.370974 0.980910 Biso 1.000000 O
O30 1.0 0.133512 0.393764 0.497570 Biso 1.000000 O
O31 1.0 0.982540 0.276742 0.059713 Biso 1.000000 O
O32 1.0 0.969972 0.278626 0.555836 Biso 1.000000 O
O33 1.0 0.150695 0.072982 0.035596 Biso 1.000000 O
O34 1.0 0.193227 0.044107 0.538575 Biso 1.000000 O
O35 1.0 0.360108 0.069277 0.270466 Biso 1.000000 O
O36 1.0 0.361839 0.064102 0.771099 Biso 1.000000 O
O37 1.0 0.772870 0.438433 0.457718 Biso 1.000000 O
O38 1.0 0.795148 0.436445 0.949628 Biso 1.000000 O
O39 1.0 0.549878 0.645925 0.469953 Biso 1.000000 O
O40 1.0 0.553408 0.656160 0.963642 Biso 1.000000 O
O41 1.0 0.641233 0.850643 0.247025 Biso 1.000000 O
O42 1.0 0.633149 0.849664 0.756070 Biso 1.000000 O
O43 1.0 0.721152 0.034035 0.220781 Biso 1.000000 O
O44 1.0 0.724313 0.030416 0.719377 Biso 1.000000 O
O45 1.0 0.918119 0.815644 0.219426 Biso 1.000000 O
O46 1.0 0.950080 0.788421 0.711440 Biso 1.000000 O
O47 1.0 0.861045 0.615392 0.516640 Biso 1.000000 O
O48 1.0 0.889693 0.613584 0.985976 Biso 1.000000 O
O49 1.0 0.030060 0.128264 0.158464 Biso 1.000000 O
O50 1.0 0.042001 0.118169 0.611644 Biso 1.000000 O
O51 1.0 0.451827 0.329748 0.360619 Biso 1.000000 O
O52 1.0 0.450036 0.330116 0.870540 Biso 1.000000 O
O53 1.0 0.837606 0.940132 0.116317 Biso 1.000000 O
O54 1.0 0.865657 0.939161 0.651943 Biso 1.000000 O
O55 1.0 0.642916 0.528676 0.370646 Biso 1.000000 O
O56 1.0 0.643147 0.517483 0.885301 Biso 1.000000 O
O57 1.0 0.985609 0.330287 0.386610 Biso 1.000000 O
O58 1.0 0.987856 0.296317 0.885669 Biso 1.000000 O
O59 1.0 0.208979 0.108617 0.372138 Biso 1.000000 O
O60 1.0 0.221563 0.111075 0.877572 Biso 1.000000 O
O61 1.0 0.483452 0.120663 0.138266 Biso 1.000000 O
O62 1.0 0.477508 0.146995 0.639692 Biso 1.000000 O
O63 1.0 0.250319 0.378228 0.129117 Biso 1.000000 O
O64 1.0 0.256363 0.374398 0.630626 Biso 1.000000 O
O65 1.0 0.668970 0.977276 0.381872 Biso 1.000000 O
O66 1.0 0.651433 0.988763 0.878776 Biso 1.000000 O
O67 1.0 0.878968 0.732830 0.375257 Biso 1.000000 O
O68 1.0 0.871417 0.759814 0.872865 Biso 1.000000 O
O69 1.0 0.850714 0.481587 0.116818 Biso 1.000000 O
O70 1.0 0.817079 0.464826 0.625524 Biso 1.000000 O
O71 1.0 0.602266 0.710839 0.126143 Biso 1.000000 O
O72 1.0 0.605020 0.718871 0.623914 Biso 1.000000 O
O73 1.0 0.979620 0.452641 0.247595 Biso 1.000000 O
O74 1.0 0.968772 0.417507 0.750154 Biso 1.000000 O
O75 1.0 0.507800 1.000852 0.998532 Biso 1.000000 O
O76 1.0 0.539202 0.024853 0.502988 Biso 1.000000 O
O77 1.0 0.527866 0.990990 0.258251 Biso 1.000000 O
O78 1.0 0.529049 0.998099 0.740895 Biso 1.000000 O
O79 1.0 0.982453 0.455510 0.990114 Biso 1.000000 O
O80 1.0 0.964086 0.464010 0.510112 Biso 1.000000 O
O81 1.0 0.268702 0.240676 0.006931 Biso 1.000000 O
O82 1.0 0.221991 0.234027 0.505842 Biso 1.000000 O
O83 1.0 0.739436 0.718477 0.000787 Biso 1.000000 O
O84 1.0 0.730976 0.740294 0.487251 Biso 1.000000 O
O85 1.0 0.263141 0.221631 0.230463 Biso 1.000000 O
O86 1.0 0.277837 0.223189 0.736130 Biso 1.000000 O
O87 1.0 0.746543 0.700630 0.242925 Biso 1.000000 O
O88 1.0 0.761245 0.721780 0.725681 Biso 1.000000 O
O89 1.0 0.843465 0.136935 0.109378 Biso 1.000000 O
O90 1.0 0.846269 0.122443 0.599907 Biso 1.000000 O
O91 1.0 0.033999 0.938306 0.120165 Biso 1.000000 O
O92 1.0 0.054676 0.924910 0.616408 Biso 1.000000 O
O93 1.0 0.647714 0.335856 0.347439 Biso 1.000000 O
O94 1.0 0.639560 0.318707 0.893044 Biso 1.000000 O
O95 1.0 0.445050 0.522683 0.363026 Biso 1.000000 O
O96 1.0 0.452322 0.525339 0.857926 Biso 1.000000 O
O97 1.0 0.598772 0.356199 0.624234 Biso 1.000000 O
Si1 1.0 0.248148 0.353362 0.023802 Biso 1.000000 Si
Si2 1.0 0.461078 0.097970 0.033751 Biso 1.000000 Si
Si3 1.0 0.004308 0.344310 0.280403 Biso 1.000000 Si
Si4 1.0 0.007976 0.315678 0.779720 Biso 1.000000 Si
Si5 1.0 0.637514 0.734405 0.227952 Biso 1.000000 Si
Si6 1.0 0.882947 0.504681 0.220198 Biso 1.000000 Si
Si7 1.0 0.855150 0.722583 0.975204 Biso 1.000000 Si
Si8 1.0 0.621875 0.957209 0.481517 Biso 1.000000 Si
Si9 1.0 0.614390 0.963639 0.979623 Biso 1.000000 Si
Si10 1.0 0.252712 0.127140 0.473469 Biso 1.000000 Si
Si11 1.0 0.246781 0.124270 0.982593 Biso 1.000000 Si
Si12 1.0 0.015723 0.364107 0.487428 Biso 1.000000 Si
Si13 1.0 0.023737 0.348905 0.979417 Biso 1.000000 Si
Si14 1.0 0.231955 0.332656 0.228470 Biso 1.000000 Si
Si15 1.0 0.239530 0.330783 0.730441 Biso 1.000000 Si
Si16 1.0 0.475660 0.090796 0.243517 Biso 1.000000 Si
Si17 1.0 0.474479 0.098174 0.735587 Biso 1.000000 Si
Si18 1.0 0.862949 0.718714 0.268725 Biso 1.000000 Si
Si19 1.0 0.869632 0.719020 0.770787 Biso 1.000000 Si
Si20 1.0 0.638635 0.963807 0.278377 Biso 1.000000 Si
Si21 1.0 0.633794 0.967105 0.773393 Biso 1.000000 Si
Si22 1.0 0.626125 0.734878 0.022368 Biso 1.000000 Si
Si23 1.0 0.615958 0.738332 0.517695 Biso 1.000000 Si
Si24 1.0 0.879817 0.498387 0.012532 Biso 1.000000 Si
Si25 1.0 0.946516 0.199805 0.138505 Biso 1.000000 Si
Si26 1.0 0.952967 0.184398 0.622911 Biso 1.000000 Si
Si27 1.0 0.099368 0.044612 0.131007 Biso 1.000000 Si
Si28 1.0 0.116605 0.034318 0.620911 Biso 1.000000 Si
Si29 1.0 0.545116 0.267749 0.376051 Biso 1.000000 Si
Si30 1.0 0.529926 0.253870 0.887636 Biso 1.000000 Si
Si31 1.0 0.384250 0.421211 0.875608 Biso 1.000000 Si
Si32 1.0 0.774318 0.032922 0.124176 Biso 1.000000 Si
Si33 1.0 0.787108 0.015744 0.629059 Biso 1.000000 Si
Si34 1.0 0.927293 0.873244 0.124437 Biso 1.000000 Si
Si35 1.0 0.945955 0.864765 0.628563 Biso 1.000000 Si
Si36 1.0 0.711844 0.441168 0.362853 Biso 1.000000 Si
Si37 1.0 0.703950 0.424230 0.881562 Biso 1.000000 Si
Si38 1.0 0.549060 0.591498 0.373841 Biso 1.000000 Si
Si39 1.0 0.557285 0.590829 0.874140 Biso 1.000000 Si
Si40 1.0 0.855989 0.497764 0.520464 Biso 1.000000 Si
Si41 1.0 0.381264 0.415208 0.373804 Biso 1.000000 Si
Si42 1.0 0.845879 0.725278 0.478691 Biso 1.000000 Si
Si43 1.0 0.253511 0.109847 0.272092 Biso 1.000000 Si
Si44 1.0 0.258477 0.110721 0.774653 Biso 1.000000 Si
Si45 1.0 0.645956 0.739646 0.723868 Biso 1.000000 Si
Si46 1.0 0.236152 0.351052 0.525824 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC12
_database_code_depnum_ccdc_archive 'CCDC 2195184'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   20.24050
_cell_length_b                   20.01540
_cell_length_c                   13.43920
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.120994 0.061556 0.466221 Biso 1.000000 Al
Al2 1.0 0.321502 0.328735 0.310096 Biso 1.000000 Al
Al3 1.0 0.270097 0.263443 0.469589 Biso 1.000000 Al
Al4 1.0 0.223307 0.232370 0.634534 Biso 1.000000 Al
Al5 1.0 0.110970 0.216780 0.519543 Biso 1.000000 Al
H1 1.0 0.134335 0.145670 0.676042 Biso 1.000000 H
H2 1.0 0.017935 0.242263 0.618484 Biso 1.000000 H
H3 1.0 0.194510 0.302472 0.774162 Biso 1.000000 H
O1 1.0 0.871629 0.073991 0.772939 Biso 1.000000 O
O2 1.0 0.364705 0.445184 0.765377 Biso 1.000000 O
O3 1.0 0.123202 0.929807 0.216472 Biso 1.000000 O
O4 1.0 0.636546 0.557334 0.225732 Biso 1.000000 O
O5 1.0 0.822150 0.050853 0.948993 Biso 1.000000 O
O6 1.0 0.299238 0.426400 0.598724 Biso 1.000000 O
O7 1.0 0.184068 0.943615 0.047615 Biso 1.000000 O
O8 1.0 0.701565 0.572449 0.394099 Biso 1.000000 O
O9 1.0 0.704365 0.040983 0.031544 Biso 1.000000 O
O10 1.0 0.201090 0.439635 0.465335 Biso 1.000000 O
O11 1.0 0.298068 0.963346 0.952918 Biso 1.000000 O
O12 1.0 0.799723 0.558029 0.526588 Biso 1.000000 O
O13 1.0 0.598584 0.070011 0.920284 Biso 1.000000 O
O14 1.0 0.103778 0.432751 0.597522 Biso 1.000000 O
O15 1.0 0.394974 0.932675 0.079100 Biso 1.000000 O
O16 1.0 0.898227 0.570563 0.396383 Biso 1.000000 O
O17 1.0 0.620835 0.059848 0.725063 Biso 1.000000 O
O18 1.0 0.108182 0.453969 0.793372 Biso 1.000000 O
O19 1.0 0.378509 0.947601 0.273870 Biso 1.000000 O
O20 1.0 0.892819 0.552387 0.201587 Biso 1.000000 O
O21 1.0 0.742280 0.056267 0.793546 Biso 1.000000 O
O22 1.0 0.235214 0.468447 0.758553 Biso 1.000000 O
O23 1.0 0.255472 0.940961 0.210712 Biso 1.000000 O
O24 1.0 0.765457 0.530818 0.233736 Biso 1.000000 O
O25 1.0 0.874106 0.833358 0.771436 Biso 1.000000 O
O26 1.0 0.361264 0.661488 0.752764 Biso 1.000000 O
O27 1.0 0.131496 0.163534 0.234061 Biso 1.000000 O
O28 1.0 0.640527 0.335304 0.242661 Biso 1.000000 O
O29 1.0 0.814651 0.853896 0.941162 Biso 1.000000 O
O30 1.0 0.295113 0.669236 0.587338 Biso 1.000000 O
O31 1.0 0.184201 0.149763 0.056046 Biso 1.000000 O
O32 1.0 0.700097 0.333715 0.413092 Biso 1.000000 O
O33 1.0 0.693370 0.847198 0.011098 Biso 1.000000 O
O34 1.0 0.187576 0.648975 0.475877 Biso 1.000000 O
O35 1.0 0.305787 0.154127 0.984898 Biso 1.000000 O
O36 1.0 0.811512 0.354615 0.511974 Biso 1.000000 O
O37 1.0 0.575288 0.840546 0.929380 Biso 1.000000 O
O38 1.0 0.086991 0.675911 0.596599 Biso 1.000000 O
O39 1.0 0.425844 0.162447 0.061971 Biso 1.000000 O
O40 1.0 0.912954 0.326788 0.392033 Biso 1.000000 O
O41 1.0 0.616677 0.840880 0.738799 Biso 1.000000 O
O42 1.0 0.105970 0.656116 0.788864 Biso 1.000000 O
O43 1.0 0.386709 0.166048 0.251451 Biso 1.000000 O
O44 1.0 0.892484 0.348455 0.198939 Biso 1.000000 O
O45 1.0 0.744005 0.851219 0.775461 Biso 1.000000 O
O46 1.0 0.232182 0.632695 0.750614 Biso 1.000000 O
O47 1.0 0.259871 0.148405 0.216377 Biso 1.000000 O
O48 1.0 0.768540 0.364063 0.250406 Biso 1.000000 O
O49 1.0 0.824542 0.953283 0.811322 Biso 1.000000 O
O50 1.0 0.317174 0.549845 0.666349 Biso 1.000000 O
O51 1.0 0.180227 0.046048 0.176460 Biso 1.000000 O
O52 1.0 0.680990 0.450061 0.322118 Biso 1.000000 O
O53 1.0 0.584753 0.953773 0.830235 Biso 1.000000 O
O54 1.0 0.080133 0.553170 0.668188 Biso 1.000000 O
O55 1.0 0.416142 0.050377 0.164135 Biso 1.000000 O
O56 1.0 0.918483 0.449991 0.323053 Biso 1.000000 O
O57 1.0 0.926123 0.134216 0.619021 Biso 1.000000 O
O58 1.0 0.426611 0.377642 0.906026 Biso 1.000000 O
O59 1.0 0.081145 0.876454 0.383419 Biso 1.000000 O
O60 1.0 0.573278 0.621826 0.081672 Biso 1.000000 O
O61 1.0 0.892829 0.005613 0.607713 Biso 1.000000 O
O62 1.0 0.414699 0.508595 0.924330 Biso 1.000000 O
O63 1.0 0.100211 0.010000 0.369620 Biso 1.000000 O
O64 1.0 0.584544 0.489840 0.071844 Biso 1.000000 O
O65 1.0 0.897088 0.873106 0.585891 Biso 1.000000 O
O66 1.0 0.405071 0.640184 0.935716 Biso 1.000000 O
O67 1.0 0.102384 0.147756 0.428208 Biso 1.000000 O
O68 1.0 0.609616 0.359833 0.054159 Biso 1.000000 O
O69 1.0 0.709230 0.138148 0.644382 Biso 1.000000 O
O70 1.0 0.191011 0.371886 0.879933 Biso 1.000000 O
O71 1.0 0.298608 0.857707 0.349847 Biso 1.000000 O
O72 1.0 0.805042 0.628494 0.112474 Biso 1.000000 O
O73 1.0 0.716228 0.007261 0.614542 Biso 1.000000 O
O74 1.0 0.187850 0.497374 0.938243 Biso 1.000000 O
O75 1.0 0.282024 0.985202 0.393833 Biso 1.000000 O
O76 1.0 0.819557 0.501656 0.058360 Biso 1.000000 O
O77 1.0 0.699958 0.876472 0.592396 Biso 1.000000 O
O78 1.0 0.188499 0.630732 0.936516 Biso 1.000000 O
O79 1.0 0.309452 0.114646 0.394428 Biso 1.000000 O
O80 1.0 0.802928 0.368764 0.058318 Biso 1.000000 O
O81 1.0 0.501468 0.054587 0.787941 Biso 1.000000 O
O82 1.0 0.994036 0.454064 0.703966 Biso 1.000000 O
O83 1.0 0.496393 0.946737 0.202443 Biso 1.000000 O
O84 1.0 0.007518 0.545546 0.289941 Biso 1.000000 O
O85 1.0 0.492307 0.864345 0.783596 Biso 1.000000 O
O86 1.0 0.986388 0.641253 0.713292 Biso 1.000000 O
O87 1.0 0.510270 0.138698 0.208070 Biso 1.000000 O
O88 1.0 0.011421 0.362112 0.270248 Biso 1.000000 O
O89 1.0 0.936493 0.754682 0.641920 Biso 1.000000 O
O90 1.0 0.430725 0.754361 0.848304 Biso 1.000000 O
O91 1.0 0.065659 0.252427 0.347611 Biso 1.000000 O
O92 1.0 0.571577 0.247439 0.140853 Biso 1.000000 O
O93 1.0 0.698978 0.753205 0.659546 Biso 1.000000 O
O94 1.0 0.197469 0.744900 0.846934 Biso 1.000000 O
O95 1.0 0.299807 0.241830 0.345218 Biso 1.000000 O
O96 1.0 0.804760 0.254041 0.149455 Biso 1.000000 O
O97 1.0 0.777527 0.748143 0.048421 Biso 1.000000 O
O98 1.0 0.275264 0.742153 0.428350 Biso 1.000000 O
O99 1.0 0.220683 0.253275 0.947629 Biso 1.000000 O
O100 1.0 0.732004 0.253331 0.561098 Biso 1.000000 O
O101 1.0 0.610523 0.747708 0.059401 Biso 1.000000 O
O102 1.0 0.105663 0.753542 0.442148 Biso 1.000000 O
O103 1.0 0.386497 0.253517 0.931932 Biso 1.000000 O
O104 1.0 0.890819 0.252080 0.550770 Biso 1.000000 O
O105 1.0 0.864372 0.436696 0.716966 Biso 1.000000 O
O106 1.0 0.377812 0.039869 0.736818 Biso 1.000000 O
O107 1.0 0.135662 0.568760 0.272075 Biso 1.000000 O
O108 1.0 0.616041 0.954857 0.268616 Biso 1.000000 O
O109 1.0 0.804875 0.434864 0.890733 Biso 1.000000 O
O110 1.0 0.324764 0.043816 0.558889 Biso 1.000000 O
O111 1.0 0.201819 0.568236 0.103058 Biso 1.000000 O
O112 1.0 0.677966 0.957585 0.440909 Biso 1.000000 O
O113 1.0 0.703173 0.450640 0.016770 Biso 1.000000 O
O114 1.0 0.203979 0.066769 0.491936 Biso 1.000000 O
O115 1.0 0.299520 0.562753 0.967768 Biso 1.000000 O
O116 1.0 0.800672 0.941409 0.503593 Biso 1.000000 O
O117 1.0 0.601579 0.433801 0.893921 Biso 1.000000 O
O118 1.0 0.070870 0.050423 0.568311 Biso 1.000000 O
O119 1.0 0.397819 0.569358 0.099129 Biso 1.000000 O
O120 1.0 0.924138 0.951770 0.435653 Biso 1.000000 O
O121 1.0 0.608563 0.449349 0.698579 Biso 1.000000 O
O122 1.0 0.119452 0.076965 0.747297 Biso 1.000000 O
O123 1.0 0.391526 0.550457 0.293882 Biso 1.000000 O
O124 1.0 0.874890 0.924962 0.257354 Biso 1.000000 O
O125 1.0 0.735938 0.466230 0.731988 Biso 1.000000 O
O126 1.0 0.248696 0.059609 0.720102 Biso 1.000000 O
O127 1.0 0.262942 0.534655 0.266105 Biso 1.000000 O
O128 1.0 0.745374 0.937927 0.275184 Biso 1.000000 O
O129 1.0 0.861109 0.672756 0.744452 Biso 1.000000 O
O130 1.0 0.374684 0.834977 0.716497 Biso 1.000000 O
O131 1.0 0.139371 0.332682 0.246881 Biso 1.000000 O
O132 1.0 0.627034 0.169807 0.280043 Biso 1.000000 O
O133 1.0 0.807111 0.653345 0.918556 Biso 1.000000 O
O134 1.0 0.315437 0.843522 0.545207 Biso 1.000000 O
O135 1.0 0.190012 0.350951 0.071262 Biso 1.000000 O
O136 1.0 0.689821 0.151151 0.449535 Biso 1.000000 O
O137 1.0 0.693096 0.648001 0.014349 Biso 1.000000 O
O138 1.0 0.195626 0.846898 0.471829 Biso 1.000000 O
O139 1.0 0.305705 0.354494 0.976129 Biso 1.000000 O
O140 1.0 0.811235 0.148883 0.522485 Biso 1.000000 O
O141 1.0 0.588986 0.673626 0.900374 Biso 1.000000 O
O142 1.0 0.084238 0.850578 0.574612 Biso 1.000000 O
O143 1.0 0.411522 0.329034 0.088313 Biso 1.000000 O
O144 1.0 0.923172 0.153254 0.424278 Biso 1.000000 O
O145 1.0 0.608951 0.660397 0.706013 Biso 1.000000 O
O146 1.0 0.117576 0.831919 0.764273 Biso 1.000000 O
O147 1.0 0.402818 0.340642 0.283812 Biso 1.000000 O
O148 1.0 0.885495 0.168170 0.234427 Biso 1.000000 O
O149 1.0 0.733465 0.641719 0.756102 Biso 1.000000 O
O150 1.0 0.243054 0.824759 0.707100 Biso 1.000000 O
O151 1.0 0.266749 0.363521 0.229266 Biso 1.000000 O
O152 1.0 0.759133 0.170063 0.285281 Biso 1.000000 O
O153 1.0 0.825985 0.550936 0.797125 Biso 1.000000 O
O154 1.0 0.299271 0.941389 0.680663 Biso 1.000000 O
O155 1.0 0.171575 0.453704 0.193166 Biso 1.000000 O
O156 1.0 0.694120 0.057041 0.308857 Biso 1.000000 O
O157 1.0 0.582928 0.553644 0.817452 Biso 1.000000 O
O158 1.0 0.089684 0.952849 0.702108 Biso 1.000000 O
O159 1.0 0.419060 0.448966 0.169929 Biso 1.000000 O
O160 1.0 0.912860 0.048182 0.302041 Biso 1.000000 O
O161 1.0 0.932761 0.377101 0.574170 Biso 1.000000 O
O162 1.0 0.410586 0.131616 0.870481 Biso 1.000000 O
O163 1.0 0.065809 0.630336 0.412071 Biso 1.000000 O
O164 1.0 0.587692 0.869096 0.123188 Biso 1.000000 O
O165 1.0 0.917365 0.508775 0.568324 Biso 1.000000 O
O166 1.0 0.419514 0.002674 0.917675 Biso 1.000000 O
O167 1.0 0.088907 0.501650 0.430124 Biso 1.000000 O
O168 1.0 0.586173 0.999238 0.084611 Biso 1.000000 O
O169 1.0 0.900701 0.640313 0.561581 Biso 1.000000 O
O170 1.0 0.388348 0.872370 0.905663 Biso 1.000000 O
O171 1.0 0.092651 0.369798 0.425125 Biso 1.000000 O
O172 1.0 0.616738 0.129318 0.092130 Biso 1.000000 O
O173 1.0 0.695409 0.376223 0.600065 Biso 1.000000 O
O174 1.0 0.203468 0.136106 0.862749 Biso 1.000000 O
O175 1.0 0.306343 0.612844 0.410948 Biso 1.000000 O
O176 1.0 0.795721 0.863167 0.134426 Biso 1.000000 O
O177 1.0 0.682404 0.505989 0.560971 Biso 1.000000 O
O178 1.0 0.185826 0.002255 0.874374 Biso 1.000000 O
O179 1.0 0.322115 0.479190 0.420333 Biso 1.000000 O
O180 1.0 0.809904 0.996403 0.125659 Biso 1.000000 O
O181 1.0 0.698457 0.638764 0.564063 Biso 1.000000 O
O182 1.0 0.213054 0.872023 0.888099 Biso 1.000000 O
O183 1.0 0.296202 0.349513 0.437764 Biso 1.000000 O
O184 1.0 0.793584 0.127197 0.103743 Biso 1.000000 O
O185 1.0 0.493417 0.457951 0.786299 Biso 1.000000 O
O186 1.0 0.993376 0.043951 0.725226 Biso 1.000000 O
O187 1.0 0.506915 0.545758 0.206384 Biso 1.000000 O
O188 1.0 1.001012 0.950111 0.275476 Biso 1.000000 O
O189 1.0 0.488942 0.643855 0.780735 Biso 1.000000 O
O190 1.0 0.995128 0.862261 0.717599 Biso 1.000000 O
O191 1.0 0.517418 0.363189 0.195392 Biso 1.000000 O
O192 1.0 0.008737 0.138509 0.280965 Biso 1.000000 O
O193 1.0 0.185346 0.263132 0.503475 Biso 1.000000 O
O194 1.0 0.297600 0.221536 0.572196 Biso 1.000000 O
O195 1.0 0.151028 0.179847 0.629138 Biso 1.000000 O
O196 1.0 0.035862 0.248971 0.552522 Biso 1.000000 O
O197 1.0 0.229177 0.286415 0.730770 Biso 1.000000 O
Si1 1.0 0.921543 0.063854 0.679696 Biso 1.000000 Si
Si2 1.0 0.424369 0.447782 0.845539 Biso 1.000000 Si
Si3 1.0 0.077048 0.943201 0.314178 Biso 1.000000 Si
Si4 1.0 0.576161 0.553274 0.146555 Biso 1.000000 Si
Si5 1.0 0.814874 0.032803 0.832027 Biso 1.000000 Si
Si6 1.0 0.304287 0.472414 0.698520 Biso 1.000000 Si
Si7 1.0 0.185658 0.965352 0.163688 Biso 1.000000 Si
Si8 1.0 0.695945 0.527592 0.293482 Biso 1.000000 Si
Si9 1.0 0.782095 0.054476 0.053340 Biso 1.000000 Si
Si10 1.0 0.278867 0.425610 0.482814 Biso 1.000000 Si
Si11 1.0 0.220522 0.944254 0.940814 Biso 1.000000 Si
Si12 1.0 0.720684 0.569080 0.511398 Biso 1.000000 Si
Si13 1.0 0.626537 0.059815 0.032193 Biso 1.000000 Si
Si14 1.0 0.121297 0.435790 0.479950 Biso 1.000000 Si
Si15 1.0 0.375251 0.942283 0.963350 Biso 1.000000 Si
Si16 1.0 0.878634 0.569336 0.513218 Biso 1.000000 Si
Si17 1.0 0.576185 0.033949 0.817159 Biso 1.000000 Si
Si18 1.0 0.071273 0.473824 0.690240 Biso 1.000000 Si
Si19 1.0 0.421852 0.969897 0.178666 Biso 1.000000 Si
Si20 1.0 0.929419 0.529496 0.303245 Biso 1.000000 Si
Si21 1.0 0.697697 0.065163 0.693666 Biso 1.000000 Si
Si22 1.0 0.181226 0.448532 0.842363 Biso 1.000000 Si
Si23 1.0 0.303069 0.933482 0.307355 Biso 1.000000 Si
Si24 1.0 0.819870 0.553391 0.151617 Biso 1.000000 Si
Si25 1.0 0.925713 0.830972 0.679226 Biso 1.000000 Si
Si26 1.0 0.421729 0.674978 0.829062 Biso 1.000000 Si
Si27 1.0 0.584362 0.326558 0.158179 Biso 1.000000 Si
Si28 1.0 0.814050 0.873342 0.824226 Biso 1.000000 Si
Si29 1.0 0.301630 0.628070 0.690495 Biso 1.000000 Si
Si30 1.0 0.188746 0.125796 0.170823 Biso 1.000000 Si
Si31 1.0 0.770113 0.827844 0.033567 Biso 1.000000 Si
Si32 1.0 0.265925 0.668041 0.474942 Biso 1.000000 Si
Si33 1.0 0.229171 0.173778 0.962434 Biso 1.000000 Si
Si34 1.0 0.735030 0.329674 0.521597 Biso 1.000000 Si
Si35 1.0 0.616664 0.826342 0.030563 Biso 1.000000 Si
Si36 1.0 0.111961 0.677467 0.481785 Biso 1.000000 Si
Si37 1.0 0.382303 0.175319 0.962322 Biso 1.000000 Si
Si38 1.0 0.887676 0.327424 0.506998 Biso 1.000000 Si
Si39 1.0 0.064821 0.631251 0.691874 Biso 1.000000 Si
Si40 1.0 0.933441 0.372325 0.296551 Biso 1.000000 Si
Si41 1.0 0.689948 0.830906 0.691425 Biso 1.000000 Si
Si42 1.0 0.181021 0.666657 0.829298 Biso 1.000000 Si
Si43 1.0 0.314167 0.164453 0.301199 Biso 1.000000 Si
Si44 1.0 0.816751 0.333415 0.164852 Biso 1.000000 Si
Si45 1.0 0.926214 0.444491 0.640907 Biso 1.000000 Si
Si46 1.0 0.426398 0.057369 0.828278 Biso 1.000000 Si
Si47 1.0 0.075070 0.561105 0.350398 Biso 1.000000 Si
Si48 1.0 0.572753 0.942625 0.168998 Biso 1.000000 Si
Si49 1.0 0.807782 0.472420 0.783956 Biso 1.000000 Si
Si50 1.0 0.312702 0.021320 0.673220 Biso 1.000000 Si
Si51 1.0 0.192877 0.531033 0.208883 Biso 1.000000 Si
Si52 1.0 0.683520 0.977164 0.323876 Biso 1.000000 Si
Si53 1.0 0.782342 0.438855 0.006164 Biso 1.000000 Si
Si54 1.0 0.278540 0.052959 0.460315 Biso 1.000000 Si
Si55 1.0 0.220179 0.564485 0.986356 Biso 1.000000 Si
Si56 1.0 0.723756 0.945138 0.538579 Biso 1.000000 Si
Si57 1.0 0.624906 0.433708 0.009012 Biso 1.000000 Si
Si58 1.0 0.378881 0.569951 0.982163 Biso 1.000000 Si
Si59 1.0 0.878470 0.943456 0.533611 Biso 1.000000 Si
Si60 1.0 0.571539 0.474078 0.799260 Biso 1.000000 Si
Si61 1.0 0.067433 0.029770 0.682615 Biso 1.000000 Si
Si62 1.0 0.429151 0.527998 0.192115 Biso 1.000000 Si
Si63 1.0 0.928733 0.968942 0.317731 Biso 1.000000 Si
Si64 1.0 0.681283 0.449272 0.647444 Biso 1.000000 Si
Si65 1.0 0.190927 0.066739 0.802990 Biso 1.000000 Si
Si66 1.0 0.320167 0.545200 0.348158 Biso 1.000000 Si
Si67 1.0 0.806040 0.931291 0.197260 Biso 1.000000 Si
Si68 1.0 0.921304 0.676808 0.665278 Biso 1.000000 Si
Si69 1.0 0.421678 0.831456 0.813886 Biso 1.000000 Si
Si70 1.0 0.077192 0.331320 0.321616 Biso 1.000000 Si
Si71 1.0 0.581483 0.171587 0.180403 Biso 1.000000 Si
Si72 1.0 0.806382 0.629417 0.803749 Biso 1.000000 Si
Si73 1.0 0.308316 0.861732 0.662319 Biso 1.000000 Si
Si74 1.0 0.193982 0.375832 0.185655 Biso 1.000000 Si
Si75 1.0 0.770415 0.669731 0.022820 Biso 1.000000 Si
Si76 1.0 0.270811 0.822045 0.449585 Biso 1.000000 Si
Si77 1.0 0.228424 0.332295 0.969709 Biso 1.000000 Si
Si78 1.0 0.735666 0.173382 0.543506 Biso 1.000000 Si
Si79 1.0 0.616455 0.672702 0.013945 Biso 1.000000 Si
Si80 1.0 0.116621 0.832132 0.467900 Biso 1.000000 Si
Si81 1.0 0.382464 0.328964 0.975904 Biso 1.000000 Si
Si82 1.0 0.888284 0.172536 0.528663 Biso 1.000000 Si
Si83 1.0 0.071818 0.874300 0.688052 Biso 1.000000 Si
Si84 1.0 0.931473 0.126520 0.311502 Biso 1.000000 Si
Si85 1.0 0.685060 0.673795 0.671523 Biso 1.000000 Si
Si86 1.0 0.192770 0.819577 0.801388 Biso 1.000000 Si
Si87 1.0 0.810646 0.178803 0.193123 Biso 1.000000 Si
Si88 1.0 0.567989 0.874942 0.820447 Biso 1.000000 Si
Si89 1.0 0.567398 0.632507 0.801131 Biso 1.000000 Si
Si90 1.0 0.692202 0.136780 0.330756 Biso 1.000000 Si
Si91 1.0 0.697744 0.371298 0.306536 Biso 1.000000 Si
Si92 1.0 0.434782 0.128863 0.170824 Biso 1.000000 Si
Si93 1.0 0.437768 0.370394 0.185462 Biso 1.000000 Si
Si94 1.0 0.075724 0.174230 0.317916 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC13
_database_code_depnum_ccdc_archive 'CCDC 2195183'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   20.24050
_cell_length_b                   20.01540
_cell_length_c                   13.43920
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.113822 0.055830 0.459672 Biso 1.000000 Al
Al2 1.0 0.325807 0.332367 0.308066 Biso 1.000000 Al
Al3 1.0 0.162803 0.177224 0.497586 Biso 1.000000 Al
Al4 1.0 0.272535 0.263580 0.459007 Biso 1.000000 Al
Al5 1.0 0.239050 0.222783 0.660477 Biso 1.000000 Al
H1 1.0 0.217126 0.271623 0.810067 Biso 1.000000 H
O1 1.0 0.870990 0.073966 0.772710 Biso 1.000000 O
O2 1.0 0.365250 0.447530 0.766308 Biso 1.000000 O
O3 1.0 0.118607 0.927422 0.208603 Biso 1.000000 O
O4 1.0 0.637935 0.558175 0.224643 Biso 1.000000 O
O5 1.0 0.820814 0.050496 0.949340 Biso 1.000000 O
O6 1.0 0.300393 0.425100 0.599163 Biso 1.000000 O
O7 1.0 0.179408 0.950680 0.044242 Biso 1.000000 O
O8 1.0 0.702757 0.572103 0.393469 Biso 1.000000 O
O9 1.0 0.702307 0.037523 0.029400 Biso 1.000000 O
O10 1.0 0.200693 0.435471 0.467938 Biso 1.000000 O
O11 1.0 0.295957 0.959531 0.956882 Biso 1.000000 O
O12 1.0 0.800284 0.557109 0.526830 Biso 1.000000 O
O13 1.0 0.595044 0.067912 0.920933 Biso 1.000000 O
O14 1.0 0.103042 0.432012 0.598205 Biso 1.000000 O
O15 1.0 0.394941 0.929950 0.078340 Biso 1.000000 O
O16 1.0 0.898462 0.570872 0.396123 Biso 1.000000 O
O17 1.0 0.619848 0.060745 0.725724 Biso 1.000000 O
O18 1.0 0.108473 0.452446 0.794260 Biso 1.000000 O
O19 1.0 0.372872 0.954893 0.272339 Biso 1.000000 O
O20 1.0 0.893743 0.553832 0.200948 Biso 1.000000 O
O21 1.0 0.741493 0.055447 0.793693 Biso 1.000000 O
O22 1.0 0.235179 0.465816 0.757665 Biso 1.000000 O
O23 1.0 0.250855 0.938479 0.207578 Biso 1.000000 O
O24 1.0 0.766544 0.530225 0.232880 Biso 1.000000 O
O25 1.0 0.872652 0.832300 0.770697 Biso 1.000000 O
O26 1.0 0.361583 0.659346 0.751190 Biso 1.000000 O
O27 1.0 0.128467 0.163826 0.235940 Biso 1.000000 O
O28 1.0 0.641227 0.334622 0.242896 Biso 1.000000 O
O29 1.0 0.813482 0.853678 0.940410 Biso 1.000000 O
O30 1.0 0.296469 0.669453 0.585690 Biso 1.000000 O
O31 1.0 0.184972 0.145694 0.060107 Biso 1.000000 O
O32 1.0 0.701197 0.334428 0.412986 Biso 1.000000 O
O33 1.0 0.692120 0.845732 0.009893 Biso 1.000000 O
O34 1.0 0.189586 0.648758 0.474412 Biso 1.000000 O
O35 1.0 0.304700 0.155571 0.980927 Biso 1.000000 O
O36 1.0 0.811704 0.352138 0.515608 Biso 1.000000 O
O37 1.0 0.573206 0.841464 0.931319 Biso 1.000000 O
O38 1.0 0.089938 0.674763 0.598981 Biso 1.000000 O
O39 1.0 0.426355 0.161250 0.054970 Biso 1.000000 O
O40 1.0 0.912370 0.327702 0.392436 Biso 1.000000 O
O41 1.0 0.615894 0.837365 0.741702 Biso 1.000000 O
O42 1.0 0.106069 0.655424 0.791388 Biso 1.000000 O
O43 1.0 0.387505 0.160790 0.243664 Biso 1.000000 O
O44 1.0 0.893373 0.346680 0.199531 Biso 1.000000 O
O45 1.0 0.743137 0.852433 0.774124 Biso 1.000000 O
O46 1.0 0.231950 0.634378 0.749066 Biso 1.000000 O
O47 1.0 0.257721 0.151351 0.222394 Biso 1.000000 O
O48 1.0 0.769265 0.364423 0.250033 Biso 1.000000 O
O49 1.0 0.824873 0.953125 0.811589 Biso 1.000000 O
O50 1.0 0.314801 0.549382 0.664317 Biso 1.000000 O
O51 1.0 0.178976 0.046174 0.186381 Biso 1.000000 O
O52 1.0 0.681038 0.450163 0.320674 Biso 1.000000 O
O53 1.0 0.585971 0.952825 0.827236 Biso 1.000000 O
O54 1.0 0.080825 0.552370 0.670119 Biso 1.000000 O
O55 1.0 0.419565 0.048157 0.153162 Biso 1.000000 O
O56 1.0 0.915662 0.450528 0.321451 Biso 1.000000 O
O57 1.0 0.925225 0.131125 0.614965 Biso 1.000000 O
O58 1.0 0.424457 0.379438 0.908840 Biso 1.000000 O
O59 1.0 0.077685 0.868775 0.375403 Biso 1.000000 O
O60 1.0 0.573500 0.620489 0.079188 Biso 1.000000 O
O61 1.0 0.886347 0.004754 0.607330 Biso 1.000000 O
O62 1.0 0.416433 0.510995 0.924694 Biso 1.000000 O
O63 1.0 0.105483 -0.000999 0.369021 Biso 1.000000 O
O64 1.0 0.585442 0.488416 0.073352 Biso 1.000000 O
O65 1.0 0.896923 0.872297 0.585793 Biso 1.000000 O
O66 1.0 0.404630 0.642305 0.935091 Biso 1.000000 O
O67 1.0 0.092765 0.141831 0.426799 Biso 1.000000 O
O68 1.0 0.613519 0.359012 0.052886 Biso 1.000000 O
O69 1.0 0.709569 0.136806 0.643551 Biso 1.000000 O
O70 1.0 0.192083 0.370150 0.881177 Biso 1.000000 O
O71 1.0 0.296184 0.864051 0.354120 Biso 1.000000 O
O72 1.0 0.804994 0.628417 0.112090 Biso 1.000000 O
O73 1.0 0.715006 0.005697 0.615601 Biso 1.000000 O
O74 1.0 0.189424 0.496191 0.937178 Biso 1.000000 O
O75 1.0 0.270708 0.993191 0.386309 Biso 1.000000 O
O76 1.0 0.821517 0.501744 0.057625 Biso 1.000000 O
O77 1.0 0.695669 0.875378 0.592448 Biso 1.000000 O
O78 1.0 0.189971 0.629616 0.936475 Biso 1.000000 O
O79 1.0 0.313331 0.119412 0.395640 Biso 1.000000 O
O80 1.0 0.804167 0.369001 0.058452 Biso 1.000000 O
O81 1.0 0.499348 0.051325 0.786076 Biso 1.000000 O
O82 1.0 0.993923 0.454066 0.704949 Biso 1.000000 O
O83 1.0 0.493836 0.943344 0.205679 Biso 1.000000 O
O84 1.0 0.007658 0.544758 0.290525 Biso 1.000000 O
O85 1.0 0.491946 0.865392 0.783315 Biso 1.000000 O
O86 1.0 0.987275 0.641094 0.713325 Biso 1.000000 O
O87 1.0 0.510884 0.137900 0.202042 Biso 1.000000 O
O88 1.0 0.012217 0.366692 0.274851 Biso 1.000000 O
O89 1.0 0.935908 0.753749 0.641240 Biso 1.000000 O
O90 1.0 0.429211 0.754986 0.841750 Biso 1.000000 O
O91 1.0 0.053903 0.251278 0.339669 Biso 1.000000 O
O92 1.0 0.573068 0.247250 0.138914 Biso 1.000000 O
O93 1.0 0.699747 0.752271 0.660442 Biso 1.000000 O
O94 1.0 0.197232 0.744867 0.849752 Biso 1.000000 O
O95 1.0 0.315680 0.244884 0.341382 Biso 1.000000 O
O96 1.0 0.803223 0.254054 0.148686 Biso 1.000000 O
O97 1.0 0.777959 0.748031 0.048329 Biso 1.000000 O
O98 1.0 0.275054 0.745654 0.430209 Biso 1.000000 O
O99 1.0 0.215077 0.253333 0.959646 Biso 1.000000 O
O100 1.0 0.729387 0.252784 0.561314 Biso 1.000000 O
O101 1.0 0.608858 0.747246 0.059725 Biso 1.000000 O
O102 1.0 0.105482 0.750535 0.442774 Biso 1.000000 O
O103 1.0 0.387497 0.254211 0.929853 Biso 1.000000 O
O104 1.0 0.895540 0.250848 0.548995 Biso 1.000000 O
O105 1.0 0.864319 0.436153 0.716037 Biso 1.000000 O
O106 1.0 0.375582 0.041625 0.730398 Biso 1.000000 O
O107 1.0 0.135800 0.570041 0.273063 Biso 1.000000 O
O108 1.0 0.613849 0.954901 0.270428 Biso 1.000000 O
O109 1.0 0.805363 0.434170 0.890333 Biso 1.000000 O
O110 1.0 0.313513 0.044882 0.556566 Biso 1.000000 O
O111 1.0 0.201029 0.565739 0.102766 Biso 1.000000 O
O112 1.0 0.676020 0.957759 0.441553 Biso 1.000000 O
O113 1.0 0.704727 0.452060 0.017164 Biso 1.000000 O
O114 1.0 0.198188 0.087272 0.476469 Biso 1.000000 O
O115 1.0 0.300530 0.562431 0.969759 Biso 1.000000 O
O116 1.0 0.797853 0.936985 0.503602 Biso 1.000000 O
O117 1.0 0.603406 0.434090 0.894097 Biso 1.000000 O
O118 1.0 0.073491 0.042390 0.567789 Biso 1.000000 O
O119 1.0 0.399296 0.573223 0.099675 Biso 1.000000 O
O120 1.0 0.921379 0.951316 0.436034 Biso 1.000000 O
O121 1.0 0.608606 0.449978 0.698699 Biso 1.000000 O
O122 1.0 0.114476 0.074402 0.750977 Biso 1.000000 O
O123 1.0 0.392280 0.547964 0.293346 Biso 1.000000 O
O124 1.0 0.872952 0.923517 0.257064 Biso 1.000000 O
O125 1.0 0.736118 0.466102 0.731786 Biso 1.000000 O
O126 1.0 0.246431 0.068429 0.718831 Biso 1.000000 O
O127 1.0 0.263550 0.536693 0.265712 Biso 1.000000 O
O128 1.0 0.743367 0.936950 0.275517 Biso 1.000000 O
O129 1.0 0.861588 0.671723 0.744652 Biso 1.000000 O
O130 1.0 0.374595 0.841302 0.713957 Biso 1.000000 O
O131 1.0 0.138265 0.331715 0.250276 Biso 1.000000 O
O132 1.0 0.625699 0.168770 0.279366 Biso 1.000000 O
O133 1.0 0.807065 0.653064 0.918285 Biso 1.000000 O
O134 1.0 0.311364 0.848989 0.546900 Biso 1.000000 O
O135 1.0 0.187644 0.355329 0.074473 Biso 1.000000 O
O136 1.0 0.688536 0.150294 0.449212 Biso 1.000000 O
O137 1.0 0.693087 0.648558 0.014216 Biso 1.000000 O
O138 1.0 0.191816 0.847872 0.471362 Biso 1.000000 O
O139 1.0 0.304515 0.352151 0.981404 Biso 1.000000 O
O140 1.0 0.810477 0.150747 0.520020 Biso 1.000000 O
O141 1.0 0.589644 0.674301 0.899159 Biso 1.000000 O
O142 1.0 0.079529 0.850682 0.570531 Biso 1.000000 O
O143 1.0 0.411611 0.328035 0.089435 Biso 1.000000 O
O144 1.0 0.922204 0.153024 0.420924 Biso 1.000000 O
O145 1.0 0.609331 0.659301 0.705053 Biso 1.000000 O
O146 1.0 0.116942 0.827171 0.758357 Biso 1.000000 O
O147 1.0 0.406294 0.349723 0.283967 Biso 1.000000 O
O148 1.0 0.883072 0.166473 0.231036 Biso 1.000000 O
O149 1.0 0.733779 0.640318 0.755696 Biso 1.000000 O
O150 1.0 0.243774 0.825249 0.711814 Biso 1.000000 O
O151 1.0 0.266752 0.362496 0.229848 Biso 1.000000 O
O152 1.0 0.757471 0.170362 0.284904 Biso 1.000000 O
O153 1.0 0.826555 0.550180 0.797597 Biso 1.000000 O
O154 1.0 0.292484 0.944988 0.684122 Biso 1.000000 O
O155 1.0 0.171172 0.453565 0.202141 Biso 1.000000 O
O156 1.0 0.693449 0.056485 0.308437 Biso 1.000000 O
O157 1.0 0.582590 0.553674 0.818462 Biso 1.000000 O
O158 1.0 0.089571 0.949702 0.704448 Biso 1.000000 O
O159 1.0 0.421990 0.451324 0.159498 Biso 1.000000 O
O160 1.0 0.908684 0.046890 0.301782 Biso 1.000000 O
O161 1.0 0.933715 0.375986 0.574822 Biso 1.000000 O
O162 1.0 0.408637 0.131512 0.864847 Biso 1.000000 O
O163 1.0 0.066683 0.625937 0.417631 Biso 1.000000 O
O164 1.0 0.587572 0.868922 0.124688 Biso 1.000000 O
O165 1.0 0.917919 0.507324 0.566873 Biso 1.000000 O
O166 1.0 0.414625 0.002168 0.913829 Biso 1.000000 O
O167 1.0 0.089420 0.496231 0.425628 Biso 1.000000 O
O168 1.0 0.583147 0.999403 0.087533 Biso 1.000000 O
O169 1.0 0.901438 0.638999 0.562095 Biso 1.000000 O
O170 1.0 0.387396 0.871144 0.905208 Biso 1.000000 O
O171 1.0 0.092275 0.363343 0.431568 Biso 1.000000 O
O172 1.0 0.618423 0.128778 0.090254 Biso 1.000000 O
O173 1.0 0.695017 0.376154 0.600263 Biso 1.000000 O
O174 1.0 0.197808 0.138616 0.866150 Biso 1.000000 O
O175 1.0 0.308952 0.616936 0.406459 Biso 1.000000 O
O176 1.0 0.793813 0.863443 0.133436 Biso 1.000000 O
O177 1.0 0.682645 0.505744 0.560439 Biso 1.000000 O
O178 1.0 0.189836 0.004237 0.868521 Biso 1.000000 O
O179 1.0 0.319806 0.482763 0.423543 Biso 1.000000 O
O180 1.0 0.807944 0.996807 0.126936 Biso 1.000000 O
O181 1.0 0.699240 0.638379 0.563450 Biso 1.000000 O
O182 1.0 0.206504 0.873040 0.889589 Biso 1.000000 O
O183 1.0 0.298248 0.351125 0.435495 Biso 1.000000 O
O184 1.0 0.788734 0.127045 0.102605 Biso 1.000000 O
O185 1.0 0.494010 0.456826 0.788499 Biso 1.000000 O
O186 1.0 0.990728 0.038558 0.719457 Biso 1.000000 O
O187 1.0 0.508167 0.546667 0.207108 Biso 1.000000 O
O188 1.0 0.998815 0.950603 0.276948 Biso 1.000000 O
O189 1.0 0.489245 0.644136 0.780506 Biso 1.000000 O
O190 1.0 0.994182 0.860368 0.718745 Biso 1.000000 O
O191 1.0 0.519517 0.364270 0.189997 Biso 1.000000 O
O192 1.0 0.006183 0.134074 0.276703 Biso 1.000000 O
O193 1.0 0.193582 0.240724 0.426775 Biso 1.000000 O
O194 1.0 0.165321 0.188851 0.623684 Biso 1.000000 O
O195 1.0 0.297537 0.230683 0.569504 Biso 1.000000 O
O196 1.0 0.254699 0.265863 0.766033 Biso 1.000000 O
Si1 1.0 0.919258 0.061775 0.677701 Biso 1.000000 Si
Si2 1.0 0.424464 0.449082 0.847302 Biso 1.000000 Si
Si3 1.0 0.074907 0.936864 0.309477 Biso 1.000000 Si
Si4 1.0 0.577184 0.552907 0.146211 Biso 1.000000 Si
Si5 1.0 0.814383 0.032597 0.832081 Biso 1.000000 Si
Si6 1.0 0.304264 0.471996 0.698321 Biso 1.000000 Si
Si7 1.0 0.181632 0.966429 0.162058 Biso 1.000000 Si
Si8 1.0 0.696951 0.527619 0.292497 Biso 1.000000 Si
Si9 1.0 0.779585 0.053685 0.052784 Biso 1.000000 Si
Si10 1.0 0.279249 0.425687 0.483231 Biso 1.000000 Si
Si11 1.0 0.217974 0.945860 0.939285 Biso 1.000000 Si
Si12 1.0 0.721389 0.568594 0.510923 Biso 1.000000 Si
Si13 1.0 0.624780 0.058120 0.032035 Biso 1.000000 Si
Si14 1.0 0.120760 0.431727 0.480569 Biso 1.000000 Si
Si15 1.0 0.373450 0.940641 0.963229 Biso 1.000000 Si
Si16 1.0 0.879196 0.568414 0.512967 Biso 1.000000 Si
Si17 1.0 0.574692 0.032777 0.816113 Biso 1.000000 Si
Si18 1.0 0.071427 0.472989 0.691574 Biso 1.000000 Si
Si19 1.0 0.420476 0.968905 0.177232 Biso 1.000000 Si
Si20 1.0 0.929310 0.529689 0.302806 Biso 1.000000 Si
Si21 1.0 0.696911 0.064344 0.693874 Biso 1.000000 Si
Si22 1.0 0.181706 0.446316 0.842610 Biso 1.000000 Si
Si23 1.0 0.297588 0.938122 0.305505 Biso 1.000000 Si
Si24 1.0 0.820861 0.553494 0.150917 Biso 1.000000 Si
Si25 1.0 0.924834 0.829813 0.679213 Biso 1.000000 Si
Si26 1.0 0.421506 0.675119 0.827131 Biso 1.000000 Si
Si27 1.0 0.586398 0.326295 0.156226 Biso 1.000000 Si
Si28 1.0 0.813318 0.873308 0.823592 Biso 1.000000 Si
Si29 1.0 0.301152 0.627865 0.688761 Biso 1.000000 Si
Si30 1.0 0.187276 0.126187 0.176632 Biso 1.000000 Si
Si31 1.0 0.769076 0.827480 0.032738 Biso 1.000000 Si
Si32 1.0 0.267403 0.670024 0.473223 Biso 1.000000 Si
Si33 1.0 0.226792 0.173531 0.965898 Biso 1.000000 Si
Si34 1.0 0.734511 0.329137 0.522385 Biso 1.000000 Si
Si35 1.0 0.615408 0.825970 0.031369 Biso 1.000000 Si
Si36 1.0 0.113307 0.674923 0.483477 Biso 1.000000 Si
Si37 1.0 0.381392 0.175715 0.957277 Biso 1.000000 Si
Si38 1.0 0.888107 0.326661 0.507703 Biso 1.000000 Si
Si39 1.0 0.065806 0.630525 0.693610 Biso 1.000000 Si
Si40 1.0 0.933473 0.373098 0.296894 Biso 1.000000 Si
Si41 1.0 0.688764 0.829742 0.692042 Biso 1.000000 Si
Si42 1.0 0.181389 0.666589 0.830334 Biso 1.000000 Si
Si43 1.0 0.317461 0.167353 0.298377 Biso 1.000000 Si
Si44 1.0 0.817395 0.333112 0.164800 Biso 1.000000 Si
Si45 1.0 0.926660 0.443744 0.640937 Biso 1.000000 Si
Si46 1.0 0.423812 0.056571 0.824451 Biso 1.000000 Si
Si47 1.0 0.075509 0.558594 0.351090 Biso 1.000000 Si
Si48 1.0 0.570527 0.941835 0.171150 Biso 1.000000 Si
Si49 1.0 0.808064 0.471811 0.783657 Biso 1.000000 Si
Si50 1.0 0.307272 0.024481 0.673461 Biso 1.000000 Si
Si51 1.0 0.192774 0.531128 0.210673 Biso 1.000000 Si
Si52 1.0 0.681924 0.976811 0.324436 Biso 1.000000 Si
Si53 1.0 0.783708 0.439027 0.006096 Biso 1.000000 Si
Si54 1.0 0.274431 0.060176 0.454005 Biso 1.000000 Si
Si55 1.0 0.220954 0.563118 0.986564 Biso 1.000000 Si
Si56 1.0 0.721260 0.943587 0.539224 Biso 1.000000 Si
Si57 1.0 0.626815 0.433672 0.009140 Biso 1.000000 Si
Si58 1.0 0.379766 0.571826 0.982763 Biso 1.000000 Si
Si59 1.0 0.875514 0.941775 0.533698 Biso 1.000000 Si
Si60 1.0 0.571986 0.474022 0.800127 Biso 1.000000 Si
Si61 1.0 0.066817 0.026843 0.683970 Biso 1.000000 Si
Si62 1.0 0.430461 0.529314 0.190267 Biso 1.000000 Si
Si63 1.0 0.925858 0.968150 0.318109 Biso 1.000000 Si
Si64 1.0 0.681287 0.449360 0.647417 Biso 1.000000 Si
Si65 1.0 0.186655 0.071039 0.801390 Biso 1.000000 Si
Si66 1.0 0.320694 0.546925 0.347802 Biso 1.000000 Si
Si67 1.0 0.803986 0.931034 0.197275 Biso 1.000000 Si
Si68 1.0 0.921755 0.675848 0.665474 Biso 1.000000 Si
Si69 1.0 0.420951 0.832749 0.811459 Biso 1.000000 Si
Si70 1.0 0.075685 0.328798 0.324328 Biso 1.000000 Si
Si71 1.0 0.582248 0.171160 0.177646 Biso 1.000000 Si
Si72 1.0 0.806683 0.628576 0.803765 Biso 1.000000 Si
Si73 1.0 0.305810 0.865611 0.664551 Biso 1.000000 Si
Si74 1.0 0.192929 0.375657 0.190841 Biso 1.000000 Si
Si75 1.0 0.770518 0.669695 0.022531 Biso 1.000000 Si
Si76 1.0 0.267986 0.825430 0.451271 Biso 1.000000 Si
Si77 1.0 0.226533 0.332856 0.975542 Biso 1.000000 Si
Si78 1.0 0.734551 0.173054 0.542715 Biso 1.000000 Si
Si79 1.0 0.616312 0.672599 0.013172 Biso 1.000000 Si
Si80 1.0 0.113387 0.829667 0.465793 Biso 1.000000 Si
Si81 1.0 0.381672 0.328672 0.977190 Biso 1.000000 Si
Si82 1.0 0.888143 0.171560 0.526392 Biso 1.000000 Si
Si83 1.0 0.070428 0.872096 0.686397 Biso 1.000000 Si
Si84 1.0 0.928916 0.125019 0.308327 Biso 1.000000 Si
Si85 1.0 0.685571 0.672825 0.671260 Biso 1.000000 Si
Si86 1.0 0.190933 0.819085 0.802725 Biso 1.000000 Si
Si87 1.0 0.808064 0.178483 0.191396 Biso 1.000000 Si
Si88 1.0 0.567574 0.874188 0.821031 Biso 1.000000 Si
Si89 1.0 0.567633 0.632478 0.800736 Biso 1.000000 Si
Si90 1.0 0.691004 0.136239 0.330326 Biso 1.000000 Si
Si91 1.0 0.698410 0.371440 0.306010 Biso 1.000000 Si
Si92 1.0 0.436262 0.126693 0.162586 Biso 1.000000 Si
Si93 1.0 0.440051 0.373251 0.181477 Biso 1.000000 Si
Si94 1.0 0.070466 0.174068 0.317069 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC14
_database_code_depnum_ccdc_archive 'CCDC 2195185'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   20.24050
_cell_length_b                   20.01540
_cell_length_c                   13.43920
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.117793 0.054210 0.458845 Biso 1.000000 Al
Al2 1.0 0.323041 0.329043 0.310720 Biso 1.000000 Al
Al3 1.0 0.266974 0.273365 0.474102 Biso 1.000000 Al
Al4 1.0 0.232981 0.225489 0.657821 Biso 1.000000 Al
Al5 1.0 0.129615 0.203457 0.510318 Biso 1.000000 Al
Al6 1.0 0.122400 0.178067 0.692742 Biso 1.000000 Al
O1 1.0 0.871804 0.073154 0.774428 Biso 1.000000 O
O2 1.0 0.364739 0.443848 0.766470 Biso 1.000000 O
O3 1.0 0.119061 0.929676 0.209829 Biso 1.000000 O
O4 1.0 0.637631 0.558083 0.224709 Biso 1.000000 O
O5 1.0 0.822538 0.049788 0.950334 Biso 1.000000 O
O6 1.0 0.298371 0.428607 0.599169 Biso 1.000000 O
O7 1.0 0.184117 0.947597 0.047637 Biso 1.000000 O
O8 1.0 0.702719 0.572130 0.393561 Biso 1.000000 O
O9 1.0 0.703206 0.043491 0.025867 Biso 1.000000 O
O10 1.0 0.199945 0.442404 0.465868 Biso 1.000000 O
O11 1.0 0.293437 0.965327 0.940688 Biso 1.000000 O
O12 1.0 0.800923 0.558664 0.526541 Biso 1.000000 O
O13 1.0 0.594566 0.069174 0.919329 Biso 1.000000 O
O14 1.0 0.103590 0.430900 0.598342 Biso 1.000000 O
O15 1.0 0.389558 0.933386 0.069600 Biso 1.000000 O
O16 1.0 0.899630 0.570419 0.396784 Biso 1.000000 O
O17 1.0 0.621492 0.060469 0.724952 Biso 1.000000 O
O18 1.0 0.108875 0.451230 0.794375 Biso 1.000000 O
O19 1.0 0.379008 0.939378 0.262451 Biso 1.000000 O
O20 1.0 0.893521 0.552649 0.201683 Biso 1.000000 O
O21 1.0 0.742575 0.056196 0.794105 Biso 1.000000 O
O22 1.0 0.235486 0.469729 0.758825 Biso 1.000000 O
O23 1.0 0.251903 0.940275 0.213228 Biso 1.000000 O
O24 1.0 0.766276 0.530281 0.233396 Biso 1.000000 O
O25 1.0 0.875175 0.833648 0.770743 Biso 1.000000 O
O26 1.0 0.361320 0.664342 0.753919 Biso 1.000000 O
O27 1.0 0.127420 0.166794 0.224755 Biso 1.000000 O
O28 1.0 0.641389 0.334544 0.241390 Biso 1.000000 O
O29 1.0 0.815361 0.852395 0.939974 Biso 1.000000 O
O30 1.0 0.299815 0.667692 0.584557 Biso 1.000000 O
O31 1.0 0.190768 0.148583 0.059638 Biso 1.000000 O
O32 1.0 0.700718 0.334353 0.412225 Biso 1.000000 O
O33 1.0 0.693550 0.844698 0.006060 Biso 1.000000 O
O34 1.0 0.188833 0.648197 0.481494 Biso 1.000000 O
O35 1.0 0.310133 0.148738 0.977518 Biso 1.000000 O
O36 1.0 0.811518 0.352898 0.513908 Biso 1.000000 O
O37 1.0 0.573522 0.841932 0.932662 Biso 1.000000 O
O38 1.0 0.085594 0.673230 0.598296 Biso 1.000000 O
O39 1.0 0.422986 0.165460 0.071147 Biso 1.000000 O
O40 1.0 0.912457 0.327285 0.391688 Biso 1.000000 O
O41 1.0 0.616891 0.838008 0.742519 Biso 1.000000 O
O42 1.0 0.106145 0.653452 0.790398 Biso 1.000000 O
O43 1.0 0.384416 0.158099 0.261995 Biso 1.000000 O
O44 1.0 0.893344 0.348282 0.198910 Biso 1.000000 O
O45 1.0 0.744807 0.850818 0.773854 Biso 1.000000 O
O46 1.0 0.232520 0.634673 0.746257 Biso 1.000000 O
O47 1.0 0.256836 0.151511 0.229234 Biso 1.000000 O
O48 1.0 0.769085 0.364823 0.249480 Biso 1.000000 O
O49 1.0 0.824410 0.952808 0.812155 Biso 1.000000 O
O50 1.0 0.320147 0.550685 0.670578 Biso 1.000000 O
O51 1.0 0.179556 0.047213 0.183077 Biso 1.000000 O
O52 1.0 0.680666 0.450118 0.320567 Biso 1.000000 O
O53 1.0 0.586365 0.952890 0.827722 Biso 1.000000 O
O54 1.0 0.080163 0.550838 0.670093 Biso 1.000000 O
O55 1.0 0.415938 0.048237 0.160999 Biso 1.000000 O
O56 1.0 0.919767 0.450140 0.322112 Biso 1.000000 O
O57 1.0 0.922750 0.131865 0.616920 Biso 1.000000 O
O58 1.0 0.427342 0.376920 0.906747 Biso 1.000000 O
O59 1.0 0.079831 0.870110 0.374231 Biso 1.000000 O
O60 1.0 0.573524 0.620235 0.079163 Biso 1.000000 O
O61 1.0 0.892684 0.002173 0.610847 Biso 1.000000 O
O62 1.0 0.416109 0.508008 0.924514 Biso 1.000000 O
O63 1.0 0.089558 0.004630 0.365284 Biso 1.000000 O
O64 1.0 0.585405 0.488190 0.072977 Biso 1.000000 O
O65 1.0 0.897027 0.870442 0.583635 Biso 1.000000 O
O66 1.0 0.404935 0.639355 0.935530 Biso 1.000000 O
O67 1.0 0.106051 0.140469 0.416911 Biso 1.000000 O
O68 1.0 0.610337 0.358338 0.052708 Biso 1.000000 O
O69 1.0 0.710896 0.137556 0.643479 Biso 1.000000 O
O70 1.0 0.196036 0.369696 0.875957 Biso 1.000000 O
O71 1.0 0.297210 0.858019 0.350241 Biso 1.000000 O
O72 1.0 0.805512 0.627851 0.111910 Biso 1.000000 O
O73 1.0 0.716698 0.006742 0.615085 Biso 1.000000 O
O74 1.0 0.187860 0.495454 0.938345 Biso 1.000000 O
O75 1.0 0.295968 0.988893 0.386679 Biso 1.000000 O
O76 1.0 0.820530 0.501130 0.058283 Biso 1.000000 O
O77 1.0 0.697296 0.876433 0.593239 Biso 1.000000 O
O78 1.0 0.191509 0.629448 0.934399 Biso 1.000000 O
O79 1.0 0.301128 0.119957 0.410424 Biso 1.000000 O
O80 1.0 0.804264 0.368273 0.057655 Biso 1.000000 O
O81 1.0 0.500959 0.050673 0.781417 Biso 1.000000 O
O82 1.0 0.993994 0.452697 0.705439 Biso 1.000000 O
O83 1.0 0.494716 0.942532 0.189115 Biso 1.000000 O
O84 1.0 0.008394 0.546654 0.289046 Biso 1.000000 O
O85 1.0 0.492221 0.864582 0.784629 Biso 1.000000 O
O86 1.0 0.986066 0.639162 0.716295 Biso 1.000000 O
O87 1.0 0.508417 0.137989 0.211638 Biso 1.000000 O
O88 1.0 0.012432 0.361146 0.271860 Biso 1.000000 O
O89 1.0 0.939573 0.754058 0.645182 Biso 1.000000 O
O90 1.0 0.432420 0.754360 0.852456 Biso 1.000000 O
O91 1.0 0.061461 0.249948 0.349054 Biso 1.000000 O
O92 1.0 0.570495 0.246753 0.141532 Biso 1.000000 O
O93 1.0 0.699223 0.752636 0.658945 Biso 1.000000 O
O94 1.0 0.195597 0.744584 0.844486 Biso 1.000000 O
O95 1.0 0.306843 0.243958 0.356440 Biso 1.000000 O
O96 1.0 0.804859 0.254143 0.150317 Biso 1.000000 O
O97 1.0 0.778338 0.747306 0.048692 Biso 1.000000 O
O98 1.0 0.272208 0.744766 0.432825 Biso 1.000000 O
O99 1.0 0.228037 0.250156 0.946917 Biso 1.000000 O
O100 1.0 0.729743 0.253105 0.560396 Biso 1.000000 O
O101 1.0 0.610140 0.746652 0.059095 Biso 1.000000 O
O102 1.0 0.107367 0.753256 0.449789 Biso 1.000000 O
O103 1.0 0.387317 0.253175 0.933264 Biso 1.000000 O
O104 1.0 0.894594 0.251446 0.548439 Biso 1.000000 O
O105 1.0 0.864254 0.436092 0.716260 Biso 1.000000 O
O106 1.0 0.374343 0.052718 0.737666 Biso 1.000000 O
O107 1.0 0.137388 0.564088 0.273435 Biso 1.000000 O
O108 1.0 0.609848 0.957408 0.272203 Biso 1.000000 O
O109 1.0 0.805250 0.434836 0.890438 Biso 1.000000 O
O110 1.0 0.320819 0.041896 0.562208 Biso 1.000000 O
O111 1.0 0.201208 0.566581 0.102273 Biso 1.000000 O
O112 1.0 0.676844 0.957603 0.441664 Biso 1.000000 O
O113 1.0 0.703977 0.449744 0.017321 Biso 1.000000 O
O114 1.0 0.200093 0.045036 0.483064 Biso 1.000000 O
O115 1.0 0.300327 0.560018 0.968586 Biso 1.000000 O
O116 1.0 0.799750 0.939310 0.504637 Biso 1.000000 O
O117 1.0 0.602726 0.433878 0.893599 Biso 1.000000 O
O118 1.0 0.069772 0.047659 0.564553 Biso 1.000000 O
O119 1.0 0.398883 0.569836 0.099074 Biso 1.000000 O
O120 1.0 0.923055 0.951594 0.435872 Biso 1.000000 O
O121 1.0 0.608778 0.449944 0.697945 Biso 1.000000 O
O122 1.0 0.117406 0.086293 0.743829 Biso 1.000000 O
O123 1.0 0.392656 0.550915 0.293666 Biso 1.000000 O
O124 1.0 0.867739 0.924763 0.261968 Biso 1.000000 O
O125 1.0 0.736030 0.465924 0.732065 Biso 1.000000 O
O126 1.0 0.244640 0.051695 0.722405 Biso 1.000000 O
O127 1.0 0.264881 0.532935 0.263177 Biso 1.000000 O
O128 1.0 0.737927 0.934814 0.271082 Biso 1.000000 O
O129 1.0 0.860768 0.672900 0.743482 Biso 1.000000 O
O130 1.0 0.377482 0.827841 0.711287 Biso 1.000000 O
O131 1.0 0.138739 0.330443 0.246800 Biso 1.000000 O
O132 1.0 0.625647 0.168511 0.279653 Biso 1.000000 O
O133 1.0 0.807356 0.652914 0.917880 Biso 1.000000 O
O134 1.0 0.313777 0.848086 0.545268 Biso 1.000000 O
O135 1.0 0.188820 0.346430 0.068545 Biso 1.000000 O
O136 1.0 0.688437 0.150261 0.449107 Biso 1.000000 O
O137 1.0 0.693488 0.647536 0.013936 Biso 1.000000 O
O138 1.0 0.193896 0.850815 0.471470 Biso 1.000000 O
O139 1.0 0.306641 0.354170 0.977897 Biso 1.000000 O
O140 1.0 0.810729 0.151194 0.517152 Biso 1.000000 O
O141 1.0 0.589888 0.673721 0.899016 Biso 1.000000 O
O142 1.0 0.081912 0.858903 0.569192 Biso 1.000000 O
O143 1.0 0.412701 0.328641 0.089436 Biso 1.000000 O
O144 1.0 0.924020 0.151701 0.422796 Biso 1.000000 O
O145 1.0 0.609014 0.659589 0.704768 Biso 1.000000 O
O146 1.0 0.118367 0.832362 0.756107 Biso 1.000000 O
O147 1.0 0.404221 0.342700 0.284651 Biso 1.000000 O
O148 1.0 0.884019 0.166320 0.234114 Biso 1.000000 O
O149 1.0 0.733369 0.641128 0.755752 Biso 1.000000 O
O150 1.0 0.245156 0.827146 0.709993 Biso 1.000000 O
O151 1.0 0.267295 0.356215 0.224798 Biso 1.000000 O
O152 1.0 0.757494 0.169927 0.284477 Biso 1.000000 O
O153 1.0 0.826399 0.550688 0.796126 Biso 1.000000 O
O154 1.0 0.310623 0.940357 0.691197 Biso 1.000000 O
O155 1.0 0.175188 0.450046 0.190611 Biso 1.000000 O
O156 1.0 0.693541 0.056198 0.308568 Biso 1.000000 O
O157 1.0 0.582344 0.553467 0.817565 Biso 1.000000 O
O158 1.0 0.090606 0.956486 0.706451 Biso 1.000000 O
O159 1.0 0.419886 0.449463 0.168354 Biso 1.000000 O
O160 1.0 0.912993 0.046198 0.300146 Biso 1.000000 O
O161 1.0 0.933182 0.377090 0.573217 Biso 1.000000 O
O162 1.0 0.421753 0.133175 0.877420 Biso 1.000000 O
O163 1.0 0.068917 0.630082 0.410941 Biso 1.000000 O
O164 1.0 0.592806 0.867714 0.126941 Biso 1.000000 O
O165 1.0 0.918173 0.508781 0.569366 Biso 1.000000 O
O166 1.0 0.416442 0.002477 0.910587 Biso 1.000000 O
O167 1.0 0.085959 0.500377 0.431758 Biso 1.000000 O
O168 1.0 0.588409 0.996901 0.082932 Biso 1.000000 O
O169 1.0 0.902526 0.640451 0.561833 Biso 1.000000 O
O170 1.0 0.383338 0.872824 0.896860 Biso 1.000000 O
O171 1.0 0.092057 0.368557 0.426537 Biso 1.000000 O
O172 1.0 0.613223 0.128072 0.091698 Biso 1.000000 O
O173 1.0 0.695100 0.376233 0.599691 Biso 1.000000 O
O174 1.0 0.203974 0.128571 0.870728 Biso 1.000000 O
O175 1.0 0.305683 0.618409 0.401877 Biso 1.000000 O
O176 1.0 0.794063 0.863336 0.132238 Biso 1.000000 O
O177 1.0 0.683628 0.505864 0.560417 Biso 1.000000 O
O178 1.0 0.174795 -0.001798 0.870431 Biso 1.000000 O
O179 1.0 0.321242 0.486575 0.425795 Biso 1.000000 O
O180 1.0 0.805313 0.996972 0.127660 Biso 1.000000 O
O181 1.0 0.699021 0.638545 0.563306 Biso 1.000000 O
O182 1.0 0.207844 0.870509 0.890646 Biso 1.000000 O
O183 1.0 0.296287 0.356395 0.433984 Biso 1.000000 O
O184 1.0 0.791790 0.127817 0.102725 Biso 1.000000 O
O185 1.0 0.493911 0.456676 0.786278 Biso 1.000000 O
O186 1.0 0.993112 0.046283 0.724630 Biso 1.000000 O
O187 1.0 0.507997 0.545557 0.206508 Biso 1.000000 O
O188 1.0 0.994803 0.941483 0.269915 Biso 1.000000 O
O189 1.0 0.489043 0.644207 0.780606 Biso 1.000000 O
O190 1.0 0.995380 0.865434 0.715455 Biso 1.000000 O
O191 1.0 0.518618 0.363904 0.194404 Biso 1.000000 O
O192 1.0 0.007620 0.136714 0.277460 Biso 1.000000 O
O193 1.0 0.183407 0.262688 0.463180 Biso 1.000000 O
O194 1.0 0.296414 0.259230 0.593231 Biso 1.000000 O
O195 1.0 0.187562 0.161438 0.597502 Biso 1.000000 O
O196 1.0 0.068178 0.206003 0.603077 Biso 1.000000 O
O197 1.0 0.176008 0.235150 0.751643 Biso 1.000000 O
Si1 1.0 0.919941 0.062981 0.679407 Biso 1.000000 Si
Si2 1.0 0.424951 0.446937 0.845971 Biso 1.000000 Si
Si3 1.0 0.071415 0.937623 0.307320 Biso 1.000000 Si
Si4 1.0 0.577038 0.552522 0.146003 Biso 1.000000 Si
Si5 1.0 0.814835 0.032179 0.833271 Biso 1.000000 Si
Si6 1.0 0.304969 0.473370 0.699978 Biso 1.000000 Si
Si7 1.0 0.183420 0.966715 0.164747 Biso 1.000000 Si
Si8 1.0 0.696616 0.527605 0.292686 Biso 1.000000 Si
Si9 1.0 0.780449 0.055009 0.052786 Biso 1.000000 Si
Si10 1.0 0.278231 0.430486 0.482924 Biso 1.000000 Si
Si11 1.0 0.215754 0.944191 0.938139 Biso 1.000000 Si
Si12 1.0 0.721848 0.568998 0.510847 Biso 1.000000 Si
Si13 1.0 0.624925 0.059571 0.030122 Biso 1.000000 Si
Si14 1.0 0.120259 0.434990 0.480548 Biso 1.000000 Si
Si15 1.0 0.370443 0.942949 0.953943 Biso 1.000000 Si
Si16 1.0 0.880019 0.569445 0.513609 Biso 1.000000 Si
Si17 1.0 0.575859 0.032802 0.814725 Biso 1.000000 Si
Si18 1.0 0.071521 0.471380 0.691870 Biso 1.000000 Si
Si19 1.0 0.420345 0.967170 0.169202 Biso 1.000000 Si
Si20 1.0 0.930536 0.529690 0.302992 Biso 1.000000 Si
Si21 1.0 0.698487 0.065065 0.693715 Biso 1.000000 Si
Si22 1.0 0.182317 0.446230 0.842284 Biso 1.000000 Si
Si23 1.0 0.304586 0.932173 0.303422 Biso 1.000000 Si
Si24 1.0 0.820722 0.552948 0.151423 Biso 1.000000 Si
Si25 1.0 0.926810 0.830821 0.678717 Biso 1.000000 Si
Si26 1.0 0.422248 0.675324 0.830227 Biso 1.000000 Si
Si27 1.0 0.584811 0.325876 0.157364 Biso 1.000000 Si
Si28 1.0 0.814570 0.872751 0.823502 Biso 1.000000 Si
Si29 1.0 0.303419 0.629082 0.690179 Biso 1.000000 Si
Si30 1.0 0.188969 0.127192 0.175285 Biso 1.000000 Si
Si31 1.0 0.770138 0.826686 0.031704 Biso 1.000000 Si
Si32 1.0 0.266503 0.669277 0.474863 Biso 1.000000 Si
Si33 1.0 0.233426 0.170922 0.963859 Biso 1.000000 Si
Si34 1.0 0.734528 0.329453 0.521381 Biso 1.000000 Si
Si35 1.0 0.617223 0.825306 0.030983 Biso 1.000000 Si
Si36 1.0 0.112986 0.676214 0.484982 Biso 1.000000 Si
Si37 1.0 0.385938 0.175179 0.965250 Biso 1.000000 Si
Si38 1.0 0.887935 0.327112 0.506890 Biso 1.000000 Si
Si39 1.0 0.064379 0.628596 0.693989 Biso 1.000000 Si
Si40 1.0 0.934550 0.372249 0.296371 Biso 1.000000 Si
Si41 1.0 0.689560 0.830008 0.691979 Biso 1.000000 Si
Si42 1.0 0.181549 0.665676 0.827890 Biso 1.000000 Si
Si43 1.0 0.312423 0.165819 0.313314 Biso 1.000000 Si
Si44 1.0 0.817619 0.333498 0.164792 Biso 1.000000 Si
Si45 1.0 0.926634 0.443966 0.641197 Biso 1.000000 Si
Si46 1.0 0.427649 0.059806 0.826683 Biso 1.000000 Si
Si47 1.0 0.075969 0.559848 0.350796 Biso 1.000000 Si
Si48 1.0 0.572789 0.941342 0.167728 Biso 1.000000 Si
Si49 1.0 0.808059 0.472109 0.783522 Biso 1.000000 Si
Si50 1.0 0.312977 0.020740 0.677199 Biso 1.000000 Si
Si51 1.0 0.194187 0.527778 0.207508 Biso 1.000000 Si
Si52 1.0 0.679630 0.976860 0.324284 Biso 1.000000 Si
Si53 1.0 0.783202 0.438398 0.006069 Biso 1.000000 Si
Si54 1.0 0.276802 0.049215 0.461029 Biso 1.000000 Si
Si55 1.0 0.220773 0.562422 0.985840 Biso 1.000000 Si
Si56 1.0 0.722744 0.944446 0.539134 Biso 1.000000 Si
Si57 1.0 0.625774 0.432669 0.008881 Biso 1.000000 Si
Si58 1.0 0.379534 0.568959 0.982292 Biso 1.000000 Si
Si59 1.0 0.877778 0.941517 0.533882 Biso 1.000000 Si
Si60 1.0 0.571866 0.473809 0.799160 Biso 1.000000 Si
Si61 1.0 0.065660 0.031408 0.679215 Biso 1.000000 Si
Si62 1.0 0.430136 0.528296 0.191859 Biso 1.000000 Si
Si63 1.0 0.925503 0.966543 0.316972 Biso 1.000000 Si
Si64 1.0 0.681594 0.449367 0.647122 Biso 1.000000 Si
Si65 1.0 0.188469 0.063793 0.804732 Biso 1.000000 Si
Si66 1.0 0.320533 0.548237 0.346091 Biso 1.000000 Si
Si67 1.0 0.800986 0.930860 0.197220 Biso 1.000000 Si
Si68 1.0 0.922326 0.676212 0.666562 Biso 1.000000 Si
Si69 1.0 0.421888 0.829898 0.811908 Biso 1.000000 Si
Si70 1.0 0.077706 0.328487 0.323721 Biso 1.000000 Si
Si71 1.0 0.579299 0.170657 0.180944 Biso 1.000000 Si
Si72 1.0 0.806468 0.629060 0.803027 Biso 1.000000 Si
Si73 1.0 0.311553 0.861140 0.664050 Biso 1.000000 Si
Si74 1.0 0.194293 0.371049 0.183538 Biso 1.000000 Si
Si75 1.0 0.770860 0.669035 0.022380 Biso 1.000000 Si
Si76 1.0 0.268822 0.824704 0.450986 Biso 1.000000 Si
Si77 1.0 0.229788 0.329839 0.967985 Biso 1.000000 Si
Si78 1.0 0.735082 0.173421 0.541728 Biso 1.000000 Si
Si79 1.0 0.616767 0.671878 0.012908 Biso 1.000000 Si
Si80 1.0 0.115468 0.833112 0.466188 Biso 1.000000 Si
Si81 1.0 0.383204 0.328785 0.977551 Biso 1.000000 Si
Si82 1.0 0.888427 0.172175 0.526241 Biso 1.000000 Si
Si83 1.0 0.071921 0.877902 0.685282 Biso 1.000000 Si
Si84 1.0 0.930969 0.124693 0.309826 Biso 1.000000 Si
Si85 1.0 0.685225 0.673226 0.670838 Biso 1.000000 Si
Si86 1.0 0.191910 0.819438 0.799975 Biso 1.000000 Si
Si87 1.0 0.809507 0.178622 0.192918 Biso 1.000000 Si
Si88 1.0 0.568022 0.874205 0.821933 Biso 1.000000 Si
Si89 1.0 0.567530 0.632350 0.800388 Biso 1.000000 Si
Si90 1.0 0.691021 0.136055 0.330229 Biso 1.000000 Si
Si91 1.0 0.698124 0.371457 0.305301 Biso 1.000000 Si
Si92 1.0 0.432609 0.126846 0.176303 Biso 1.000000 Si
Si93 1.0 0.438889 0.371113 0.185481 Biso 1.000000 Si
Si94 1.0 0.074440 0.173155 0.313658 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC15
_database_code_depnum_ccdc_archive 'CCDC 2195186'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   20.24050
_cell_length_b                   20.01540
_cell_length_c                   13.43920
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.114965 0.053885 0.464510 Biso 1.000000 Al
Al2 1.0 0.322439 0.332624 0.303535 Biso 1.000000 Al
Al3 1.0 0.164198 0.173396 0.515458 Biso 1.000000 Al
Al4 1.0 0.275636 0.264423 0.461455 Biso 1.000000 Al
Al5 1.0 0.329643 0.251756 0.680555 Biso 1.000000 Al
Al6 1.0 0.179010 0.221941 0.743406 Biso 1.000000 Al
H1 1.0 0.115831 0.299936 0.835694 Biso 1.000000 H
H2 1.0 0.416009 0.263419 0.794545 Biso 1.000000 H
O1 1.0 0.870928 0.073434 0.773503 Biso 1.000000 O
O2 1.0 0.364590 0.445105 0.764778 Biso 1.000000 O
O3 1.0 0.118784 0.926134 0.210958 Biso 1.000000 O
O4 1.0 0.638729 0.557696 0.224387 Biso 1.000000 O
O5 1.0 0.820255 0.049609 0.949682 Biso 1.000000 O
O6 1.0 0.300934 0.424673 0.596796 Biso 1.000000 O
O7 1.0 0.182334 0.939349 0.048602 Biso 1.000000 O
O8 1.0 0.702803 0.571221 0.393884 Biso 1.000000 O
O9 1.0 0.702429 0.038032 0.032632 Biso 1.000000 O
O10 1.0 0.200217 0.442251 0.469465 Biso 1.000000 O
O11 1.0 0.297123 0.953933 0.954974 Biso 1.000000 O
O12 1.0 0.800662 0.556169 0.526783 Biso 1.000000 O
O13 1.0 0.595831 0.066384 0.920967 Biso 1.000000 O
O14 1.0 0.101242 0.431415 0.596809 Biso 1.000000 O
O15 1.0 0.394452 0.929514 0.081734 Biso 1.000000 O
O16 1.0 0.898494 0.569646 0.395516 Biso 1.000000 O
O17 1.0 0.619728 0.060810 0.725606 Biso 1.000000 O
O18 1.0 0.109332 0.449475 0.792996 Biso 1.000000 O
O19 1.0 0.373685 0.955865 0.275773 Biso 1.000000 O
O20 1.0 0.893349 0.553227 0.199902 Biso 1.000000 O
O21 1.0 0.741343 0.054719 0.793679 Biso 1.000000 O
O22 1.0 0.235308 0.468829 0.753402 Biso 1.000000 O
O23 1.0 0.251280 0.940383 0.213538 Biso 1.000000 O
O24 1.0 0.766923 0.529831 0.233310 Biso 1.000000 O
O25 1.0 0.871402 0.830909 0.770756 Biso 1.000000 O
O26 1.0 0.363441 0.661830 0.746315 Biso 1.000000 O
O27 1.0 0.132308 0.160930 0.239952 Biso 1.000000 O
O28 1.0 0.643967 0.333610 0.241072 Biso 1.000000 O
O29 1.0 0.812665 0.853201 0.940583 Biso 1.000000 O
O30 1.0 0.296948 0.668405 0.581734 Biso 1.000000 O
O31 1.0 0.184186 0.146435 0.056058 Biso 1.000000 O
O32 1.0 0.701658 0.333944 0.413476 Biso 1.000000 O
O33 1.0 0.691726 0.848100 0.012178 Biso 1.000000 O
O34 1.0 0.189975 0.646858 0.471523 Biso 1.000000 O
O35 1.0 0.303429 0.149892 0.974642 Biso 1.000000 O
O36 1.0 0.812747 0.351387 0.515137 Biso 1.000000 O
O37 1.0 0.573499 0.841282 0.930281 Biso 1.000000 O
O38 1.0 0.092286 0.672817 0.598813 Biso 1.000000 O
O39 1.0 0.421711 0.163216 0.063790 Biso 1.000000 O
O40 1.0 0.914369 0.327514 0.393939 Biso 1.000000 O
O41 1.0 0.615628 0.835683 0.740382 Biso 1.000000 O
O42 1.0 0.108651 0.655661 0.791255 Biso 1.000000 O
O43 1.0 0.388419 0.158677 0.253379 Biso 1.000000 O
O44 1.0 0.895350 0.345865 0.200417 Biso 1.000000 O
O45 1.0 0.742288 0.852602 0.774084 Biso 1.000000 O
O46 1.0 0.234401 0.635208 0.747874 Biso 1.000000 O
O47 1.0 0.260347 0.145936 0.216789 Biso 1.000000 O
O48 1.0 0.771578 0.363763 0.252559 Biso 1.000000 O
O49 1.0 0.824965 0.952476 0.811786 Biso 1.000000 O
O50 1.0 0.318044 0.549776 0.663167 Biso 1.000000 O
O51 1.0 0.177405 0.044283 0.175915 Biso 1.000000 O
O52 1.0 0.681734 0.449340 0.320258 Biso 1.000000 O
O53 1.0 0.587100 0.951752 0.825046 Biso 1.000000 O
O54 1.0 0.081857 0.551341 0.673061 Biso 1.000000 O
O55 1.0 0.420268 0.048117 0.154772 Biso 1.000000 O
O56 1.0 0.918099 0.449928 0.320399 Biso 1.000000 O
O57 1.0 0.926349 0.129690 0.615758 Biso 1.000000 O
O58 1.0 0.424960 0.375559 0.905113 Biso 1.000000 O
O59 1.0 0.079251 0.868123 0.377014 Biso 1.000000 O
O60 1.0 0.573774 0.621491 0.080762 Biso 1.000000 O
O61 1.0 0.884852 0.004252 0.608019 Biso 1.000000 O
O62 1.0 0.415523 0.506652 0.924758 Biso 1.000000 O
O63 1.0 0.107183 -0.001126 0.370669 Biso 1.000000 O
O64 1.0 0.585456 0.489528 0.071953 Biso 1.000000 O
O65 1.0 0.895922 0.871732 0.586527 Biso 1.000000 O
O66 1.0 0.403943 0.638463 0.930285 Biso 1.000000 O
O67 1.0 0.095707 0.140350 0.432745 Biso 1.000000 O
O68 1.0 0.610288 0.359381 0.053847 Biso 1.000000 O
O69 1.0 0.709801 0.136172 0.643331 Biso 1.000000 O
O70 1.0 0.198024 0.370853 0.875376 Biso 1.000000 O
O71 1.0 0.297380 0.864288 0.356647 Biso 1.000000 O
O72 1.0 0.804207 0.628606 0.112365 Biso 1.000000 O
O73 1.0 0.714580 0.004818 0.615953 Biso 1.000000 O
O74 1.0 0.189041 0.496505 0.934313 Biso 1.000000 O
O75 1.0 0.272936 0.993197 0.392667 Biso 1.000000 O
O76 1.0 0.820117 0.502210 0.056523 Biso 1.000000 O
O77 1.0 0.695282 0.874590 0.591581 Biso 1.000000 O
O78 1.0 0.193054 0.630101 0.935769 Biso 1.000000 O
O79 1.0 0.308787 0.121650 0.399038 Biso 1.000000 O
O80 1.0 0.805152 0.369052 0.060713 Biso 1.000000 O
O81 1.0 0.499477 0.049217 0.787152 Biso 1.000000 O
O82 1.0 0.993587 0.454292 0.706655 Biso 1.000000 O
O83 1.0 0.494099 0.943481 0.208075 Biso 1.000000 O
O84 1.0 0.007415 0.546250 0.287521 Biso 1.000000 O
O85 1.0 0.492153 0.864480 0.781991 Biso 1.000000 O
O86 1.0 0.989208 0.641648 0.713220 Biso 1.000000 O
O87 1.0 0.511203 0.138250 0.204803 Biso 1.000000 O
O88 1.0 0.014279 0.364555 0.276083 Biso 1.000000 O
O89 1.0 0.934292 0.752485 0.639772 Biso 1.000000 O
O90 1.0 0.433978 0.752241 0.844884 Biso 1.000000 O
O91 1.0 0.058646 0.249640 0.342317 Biso 1.000000 O
O92 1.0 0.572405 0.247285 0.140121 Biso 1.000000 O
O93 1.0 0.700667 0.751666 0.660039 Biso 1.000000 O
O94 1.0 0.200186 0.745752 0.850173 Biso 1.000000 O
O95 1.0 0.309145 0.245393 0.335174 Biso 1.000000 O
O96 1.0 0.805414 0.253521 0.150167 Biso 1.000000 O
O97 1.0 0.775443 0.748253 0.048961 Biso 1.000000 O
O98 1.0 0.274343 0.744575 0.426422 Biso 1.000000 O
O99 1.0 0.221392 0.253604 0.957925 Biso 1.000000 O
O100 1.0 0.730486 0.252088 0.561316 Biso 1.000000 O
O101 1.0 0.609957 0.747426 0.057942 Biso 1.000000 O
O102 1.0 0.106701 0.749715 0.443837 Biso 1.000000 O
O103 1.0 0.384827 0.252486 0.934371 Biso 1.000000 O
O104 1.0 0.896169 0.250003 0.550106 Biso 1.000000 O
O105 1.0 0.864028 0.436133 0.716739 Biso 1.000000 O
O106 1.0 0.374197 0.044435 0.736854 Biso 1.000000 O
O107 1.0 0.136277 0.568304 0.274080 Biso 1.000000 O
O108 1.0 0.614854 0.953747 0.269625 Biso 1.000000 O
O109 1.0 0.804837 0.432402 0.891097 Biso 1.000000 O
O110 1.0 0.315756 0.046919 0.561571 Biso 1.000000 O
O111 1.0 0.199346 0.564949 0.101519 Biso 1.000000 O
O112 1.0 0.675686 0.957743 0.441410 Biso 1.000000 O
O113 1.0 0.704159 0.449685 0.018096 Biso 1.000000 O
O114 1.0 0.198744 0.084349 0.486647 Biso 1.000000 O
O115 1.0 0.300815 0.559278 0.972038 Biso 1.000000 O
O116 1.0 0.797338 0.936400 0.503112 Biso 1.000000 O
O117 1.0 0.602811 0.432980 0.894070 Biso 1.000000 O
O118 1.0 0.075329 0.036685 0.572250 Biso 1.000000 O
O119 1.0 0.401749 0.572315 0.097176 Biso 1.000000 O
O120 1.0 0.921291 0.950999 0.437415 Biso 1.000000 O
O121 1.0 0.608740 0.448069 0.698297 Biso 1.000000 O
O122 1.0 0.112182 0.068061 0.760382 Biso 1.000000 O
O123 1.0 0.392282 0.547687 0.290561 Biso 1.000000 O
O124 1.0 0.873915 0.923390 0.257849 Biso 1.000000 O
O125 1.0 0.735868 0.465852 0.732783 Biso 1.000000 O
O126 1.0 0.243572 0.057171 0.723973 Biso 1.000000 O
O127 1.0 0.263503 0.533892 0.262650 Biso 1.000000 O
O128 1.0 0.744309 0.936597 0.276482 Biso 1.000000 O
O129 1.0 0.863214 0.669244 0.745384 Biso 1.000000 O
O130 1.0 0.373955 0.834470 0.719036 Biso 1.000000 O
O131 1.0 0.139782 0.329334 0.246561 Biso 1.000000 O
O132 1.0 0.628046 0.169099 0.277962 Biso 1.000000 O
O133 1.0 0.807661 0.654255 0.918731 Biso 1.000000 O
O134 1.0 0.314518 0.843659 0.547319 Biso 1.000000 O
O135 1.0 0.185761 0.355338 0.067544 Biso 1.000000 O
O136 1.0 0.689884 0.149749 0.448784 Biso 1.000000 O
O137 1.0 0.692877 0.647724 0.012059 Biso 1.000000 O
O138 1.0 0.193220 0.846813 0.474463 Biso 1.000000 O
O139 1.0 0.306458 0.353871 0.985074 Biso 1.000000 O
O140 1.0 0.811490 0.149711 0.521434 Biso 1.000000 O
O141 1.0 0.588428 0.672871 0.899043 Biso 1.000000 O
O142 1.0 0.079170 0.850358 0.570436 Biso 1.000000 O
O143 1.0 0.415754 0.327762 0.089424 Biso 1.000000 O
O144 1.0 0.923202 0.152740 0.422051 Biso 1.000000 O
O145 1.0 0.610443 0.658533 0.705354 Biso 1.000000 O
O146 1.0 0.115735 0.820633 0.755410 Biso 1.000000 O
O147 1.0 0.403694 0.349523 0.283344 Biso 1.000000 O
O148 1.0 0.886076 0.165974 0.231351 Biso 1.000000 O
O149 1.0 0.734823 0.640043 0.755857 Biso 1.000000 O
O150 1.0 0.242600 0.825344 0.707815 Biso 1.000000 O
O151 1.0 0.266747 0.363082 0.220191 Biso 1.000000 O
O152 1.0 0.760141 0.168949 0.285809 Biso 1.000000 O
O153 1.0 0.825906 0.549166 0.801639 Biso 1.000000 O
O154 1.0 0.300464 0.941784 0.681565 Biso 1.000000 O
O155 1.0 0.169228 0.452354 0.198673 Biso 1.000000 O
O156 1.0 0.693708 0.056063 0.307745 Biso 1.000000 O
O157 1.0 0.583613 0.552086 0.817517 Biso 1.000000 O
O158 1.0 0.089147 0.945244 0.711207 Biso 1.000000 O
O159 1.0 0.424284 0.450753 0.158970 Biso 1.000000 O
O160 1.0 0.910236 0.046738 0.302771 Biso 1.000000 O
O161 1.0 0.934276 0.374845 0.577177 Biso 1.000000 O
O162 1.0 0.413463 0.130248 0.873244 Biso 1.000000 O
O163 1.0 0.066644 0.625406 0.417138 Biso 1.000000 O
O164 1.0 0.585452 0.868386 0.123918 Biso 1.000000 O
O165 1.0 0.918048 0.505678 0.566274 Biso 1.000000 O
O166 1.0 0.415237 -0.000055 0.916199 Biso 1.000000 O
O167 1.0 0.085407 0.494882 0.424408 Biso 1.000000 O
O168 1.0 0.582796 0.999188 0.088143 Biso 1.000000 O
O169 1.0 0.902687 0.637083 0.562207 Biso 1.000000 O
O170 1.0 0.391337 0.868064 0.909435 Biso 1.000000 O
O171 1.0 0.097489 0.362688 0.429332 Biso 1.000000 O
O172 1.0 0.616816 0.128894 0.089355 Biso 1.000000 O
O173 1.0 0.696450 0.375464 0.600766 Biso 1.000000 O
O174 1.0 0.196076 0.145085 0.854698 Biso 1.000000 O
O175 1.0 0.308734 0.616938 0.401046 Biso 1.000000 O
O176 1.0 0.794830 0.863110 0.134093 Biso 1.000000 O
O177 1.0 0.682839 0.505113 0.561131 Biso 1.000000 O
O178 1.0 0.191243 0.013416 0.892192 Biso 1.000000 O
O179 1.0 0.320605 0.483635 0.422508 Biso 1.000000 O
O180 1.0 0.808679 0.996390 0.127704 Biso 1.000000 O
O181 1.0 0.700015 0.637702 0.563542 Biso 1.000000 O
O182 1.0 0.202281 0.878225 0.878637 Biso 1.000000 O
O183 1.0 0.293386 0.353258 0.429317 Biso 1.000000 O
O184 1.0 0.790960 0.126707 0.103284 Biso 1.000000 O
O185 1.0 0.493894 0.455788 0.787185 Biso 1.000000 O
O186 1.0 0.989668 0.034781 0.720085 Biso 1.000000 O
O187 1.0 0.509162 0.546809 0.208023 Biso 1.000000 O
O188 1.0 0.999769 0.950132 0.279940 Biso 1.000000 O
O189 1.0 0.489978 0.641113 0.777751 Biso 1.000000 O
O190 1.0 0.993172 0.857359 0.719070 Biso 1.000000 O
O191 1.0 0.520334 0.363422 0.197875 Biso 1.000000 O
O192 1.0 0.009417 0.132942 0.281334 Biso 1.000000 O
O193 1.0 0.196196 0.238207 0.449838 Biso 1.000000 O
O194 1.0 0.158881 0.175653 0.640273 Biso 1.000000 O
O195 1.0 0.259549 0.250542 0.749512 Biso 1.000000 O
O196 1.0 0.111514 0.261372 0.792915 Biso 1.000000 O
O197 1.0 0.407698 0.263325 0.723500 Biso 1.000000 O
O198 1.0 0.324361 0.240770 0.556177 Biso 1.000000 O
Si1 1.0 0.918989 0.060496 0.678484 Biso 1.000000 Si
Si2 1.0 0.424405 0.446150 0.845210 Biso 1.000000 Si
Si3 1.0 0.075844 0.936539 0.312136 Biso 1.000000 Si
Si4 1.0 0.577814 0.553326 0.146290 Biso 1.000000 Si
Si5 1.0 0.814187 0.031953 0.832378 Biso 1.000000 Si
Si6 1.0 0.305263 0.472493 0.695533 Biso 1.000000 Si
Si7 1.0 0.182051 0.963522 0.163176 Biso 1.000000 Si
Si8 1.0 0.697326 0.526940 0.292720 Biso 1.000000 Si
Si9 1.0 0.780149 0.053421 0.053979 Biso 1.000000 Si
Si10 1.0 0.278303 0.427320 0.480813 Biso 1.000000 Si
Si11 1.0 0.218303 0.944902 0.942127 Biso 1.000000 Si
Si12 1.0 0.721744 0.567720 0.511241 Biso 1.000000 Si
Si13 1.0 0.624698 0.057809 0.032793 Biso 1.000000 Si
Si14 1.0 0.120538 0.432529 0.479882 Biso 1.000000 Si
Si15 1.0 0.374900 0.937803 0.965392 Biso 1.000000 Si
Si16 1.0 0.879616 0.566955 0.512525 Biso 1.000000 Si
Si17 1.0 0.575298 0.031743 0.815921 Biso 1.000000 Si
Si18 1.0 0.071246 0.471767 0.691829 Biso 1.000000 Si
Si19 1.0 0.420732 0.968956 0.179875 Biso 1.000000 Si
Si20 1.0 0.929531 0.529354 0.301410 Biso 1.000000 Si
Si21 1.0 0.696852 0.063860 0.693782 Biso 1.000000 Si
Si22 1.0 0.183304 0.446882 0.839202 Biso 1.000000 Si
Si23 1.0 0.298746 0.938909 0.310225 Biso 1.000000 Si
Si24 1.0 0.820340 0.553490 0.150392 Biso 1.000000 Si
Si25 1.0 0.923416 0.828211 0.679067 Biso 1.000000 Si
Si26 1.0 0.422985 0.673237 0.824742 Biso 1.000000 Si
Si27 1.0 0.586406 0.326108 0.158426 Biso 1.000000 Si
Si28 1.0 0.812649 0.872786 0.823737 Biso 1.000000 Si
Si29 1.0 0.302993 0.628419 0.685949 Biso 1.000000 Si
Si30 1.0 0.188011 0.124121 0.172725 Biso 1.000000 Si
Si31 1.0 0.768441 0.827922 0.033676 Biso 1.000000 Si
Si32 1.0 0.267449 0.668979 0.469542 Biso 1.000000 Si
Si33 1.0 0.226943 0.173887 0.962454 Biso 1.000000 Si
Si34 1.0 0.735563 0.328434 0.522520 Biso 1.000000 Si
Si35 1.0 0.615186 0.826382 0.030981 Biso 1.000000 Si
Si36 1.0 0.114114 0.673650 0.482787 Biso 1.000000 Si
Si37 1.0 0.380503 0.173439 0.961994 Biso 1.000000 Si
Si38 1.0 0.889233 0.325816 0.508835 Biso 1.000000 Si
Si39 1.0 0.067685 0.629906 0.694417 Biso 1.000000 Si
Si40 1.0 0.935565 0.372184 0.297726 Biso 1.000000 Si
Si41 1.0 0.688741 0.829040 0.691278 Biso 1.000000 Si
Si42 1.0 0.184053 0.667262 0.829855 Biso 1.000000 Si
Si43 1.0 0.315484 0.166621 0.298954 Biso 1.000000 Si
Si44 1.0 0.819198 0.332652 0.166400 Biso 1.000000 Si
Si45 1.0 0.926679 0.442974 0.642085 Biso 1.000000 Si
Si46 1.0 0.424917 0.055565 0.828759 Biso 1.000000 Si
Si47 1.0 0.074713 0.558090 0.350240 Biso 1.000000 Si
Si48 1.0 0.570351 0.941418 0.171480 Biso 1.000000 Si
Si49 1.0 0.807711 0.470970 0.785118 Biso 1.000000 Si
Si50 1.0 0.308731 0.022184 0.676534 Biso 1.000000 Si
Si51 1.0 0.192017 0.529547 0.209146 Biso 1.000000 Si
Si52 1.0 0.682434 0.976413 0.324264 Biso 1.000000 Si
Si53 1.0 0.783358 0.438140 0.006853 Biso 1.000000 Si
Si54 1.0 0.274920 0.060453 0.459847 Biso 1.000000 Si
Si55 1.0 0.221175 0.562385 0.986047 Biso 1.000000 Si
Si56 1.0 0.720828 0.943074 0.538997 Biso 1.000000 Si
Si57 1.0 0.625884 0.433274 0.009236 Biso 1.000000 Si
Si58 1.0 0.380159 0.568854 0.981267 Biso 1.000000 Si
Si59 1.0 0.874780 0.941255 0.534290 Biso 1.000000 Si
Si60 1.0 0.572010 0.472520 0.799313 Biso 1.000000 Si
Si61 1.0 0.066165 0.022110 0.688239 Biso 1.000000 Si
Si62 1.0 0.431862 0.528931 0.189035 Biso 1.000000 Si
Si63 1.0 0.926556 0.967924 0.319631 Biso 1.000000 Si
Si64 1.0 0.681660 0.448427 0.647762 Biso 1.000000 Si
Si65 1.0 0.185588 0.068622 0.805333 Biso 1.000000 Si
Si66 1.0 0.320639 0.546344 0.344383 Biso 1.000000 Si
Si67 1.0 0.804893 0.930689 0.198146 Biso 1.000000 Si
Si68 1.0 0.922672 0.674362 0.665302 Biso 1.000000 Si
Si69 1.0 0.422890 0.829609 0.814132 Biso 1.000000 Si
Si70 1.0 0.078555 0.327220 0.323844 Biso 1.000000 Si
Si71 1.0 0.582499 0.171234 0.178402 Biso 1.000000 Si
Si72 1.0 0.807315 0.627896 0.805039 Biso 1.000000 Si
Si73 1.0 0.308185 0.861738 0.664369 Biso 1.000000 Si
Si74 1.0 0.191991 0.374894 0.184475 Biso 1.000000 Si
Si75 1.0 0.769956 0.669851 0.022428 Biso 1.000000 Si
Si76 1.0 0.269072 0.823819 0.451920 Biso 1.000000 Si
Si77 1.0 0.229069 0.333413 0.971907 Biso 1.000000 Si
Si78 1.0 0.735495 0.172362 0.542863 Biso 1.000000 Si
Si79 1.0 0.616287 0.672433 0.012405 Biso 1.000000 Si
Si80 1.0 0.114637 0.828774 0.467242 Biso 1.000000 Si
Si81 1.0 0.382808 0.328308 0.979763 Biso 1.000000 Si
Si82 1.0 0.889157 0.170680 0.527723 Biso 1.000000 Si
Si83 1.0 0.069458 0.868438 0.687229 Biso 1.000000 Si
Si84 1.0 0.931444 0.124651 0.309822 Biso 1.000000 Si
Si85 1.0 0.686578 0.672230 0.671304 Biso 1.000000 Si
Si86 1.0 0.190296 0.818609 0.799157 Biso 1.000000 Si
Si87 1.0 0.810775 0.177819 0.192338 Biso 1.000000 Si
Si88 1.0 0.567906 0.873320 0.819580 Biso 1.000000 Si
Si89 1.0 0.568324 0.630801 0.799932 Biso 1.000000 Si
Si90 1.0 0.692720 0.135832 0.329910 Biso 1.000000 Si
Si91 1.0 0.699934 0.370729 0.306304 Biso 1.000000 Si
Si92 1.0 0.435919 0.126573 0.168912 Biso 1.000000 Si
Si93 1.0 0.441167 0.372895 0.183925 Biso 1.000000 Si
Si94 1.0 0.074461 0.171906 0.322255 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC16
_database_code_depnum_ccdc_archive 'CCDC 2195188'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   20.24050
_cell_length_b                   20.01540
_cell_length_c                   13.43920
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.095124 0.112333 0.464270 Biso 1.000000 Al
Al2 1.0 0.295021 0.383815 0.324391 Biso 1.000000 Al
Al3 1.0 0.181763 0.218783 0.464755 Biso 1.000000 Al
H1 1.0 0.217689 0.325047 0.520189 Biso 1.000000 H
O1 1.0 0.850576 0.129949 0.778824 Biso 1.000000 O
O2 1.0 0.343999 0.501458 0.773057 Biso 1.000000 O
O3 1.0 0.098167 0.981683 0.212622 Biso 1.000000 O
O4 1.0 0.615762 0.614064 0.229707 Biso 1.000000 O
O5 1.0 0.799421 0.107462 0.954355 Biso 1.000000 O
O6 1.0 0.276653 0.485689 0.607802 Biso 1.000000 O
O7 1.0 0.158109 0.002035 0.044380 Biso 1.000000 O
O8 1.0 0.681177 0.629368 0.397691 Biso 1.000000 O
O9 1.0 0.681414 0.100409 0.038028 Biso 1.000000 O
O10 1.0 0.180747 0.502225 0.473535 Biso 1.000000 O
O11 1.0 0.274762 0.019694 0.958557 Biso 1.000000 O
O12 1.0 0.779509 0.615741 0.530204 Biso 1.000000 O
O13 1.0 0.575646 0.124485 0.924334 Biso 1.000000 O
O14 1.0 0.081986 0.488578 0.602290 Biso 1.000000 O
O15 1.0 0.374462 0.985490 0.078066 Biso 1.000000 O
O16 1.0 0.878463 0.627853 0.400877 Biso 1.000000 O
O17 1.0 0.600167 0.116705 0.728794 Biso 1.000000 O
O18 1.0 0.088483 0.511293 0.798390 Biso 1.000000 O
O19 1.0 0.352857 0.007177 0.270756 Biso 1.000000 O
O20 1.0 0.872062 0.607637 0.205908 Biso 1.000000 O
O21 1.0 0.721092 0.112498 0.797692 Biso 1.000000 O
O22 1.0 0.215768 0.531147 0.767848 Biso 1.000000 O
O23 1.0 0.228710 1.004311 0.209490 Biso 1.000000 O
O24 1.0 0.744663 0.587210 0.237702 Biso 1.000000 O
O25 1.0 0.852570 0.890019 0.775813 Biso 1.000000 O
O26 1.0 0.340810 0.722334 0.758158 Biso 1.000000 O
O27 1.0 0.108535 0.226838 0.218509 Biso 1.000000 O
O28 1.0 0.619266 0.392320 0.246204 Biso 1.000000 O
O29 1.0 0.793166 0.909223 0.945599 Biso 1.000000 O
O30 1.0 0.281801 0.725398 0.586260 Biso 1.000000 O
O31 1.0 0.165907 0.203791 0.047974 Biso 1.000000 O
O32 1.0 0.680979 0.390408 0.415592 Biso 1.000000 O
O33 1.0 0.672363 0.903336 0.016552 Biso 1.000000 O
O34 1.0 0.170343 0.704671 0.485558 Biso 1.000000 O
O35 1.0 0.285976 0.207565 0.974199 Biso 1.000000 O
O36 1.0 0.791006 0.409784 0.519438 Biso 1.000000 O
O37 1.0 0.553604 0.897815 0.936636 Biso 1.000000 O
O38 1.0 0.067009 0.732208 0.601802 Biso 1.000000 O
O39 1.0 0.393769 0.224390 0.082352 Biso 1.000000 O
O40 1.0 0.892057 0.383302 0.398264 Biso 1.000000 O
O41 1.0 0.594884 0.893627 0.746180 Biso 1.000000 O
O42 1.0 0.086699 0.711886 0.794028 Biso 1.000000 O
O43 1.0 0.360724 0.200865 0.273508 Biso 1.000000 O
O44 1.0 0.873358 0.405354 0.205864 Biso 1.000000 O
O45 1.0 0.722372 0.908599 0.779311 Biso 1.000000 O
O46 1.0 0.212240 0.693970 0.746419 Biso 1.000000 O
O47 1.0 0.236063 0.191210 0.215368 Biso 1.000000 O
O48 1.0 0.747720 0.421157 0.252148 Biso 1.000000 O
O49 1.0 0.803363 0.009572 0.817698 Biso 1.000000 O
O50 1.0 0.300970 0.608591 0.675921 Biso 1.000000 O
O51 1.0 0.144163 0.102993 0.172529 Biso 1.000000 O
O52 1.0 0.660433 0.506721 0.326106 Biso 1.000000 O
O53 1.0 0.566435 0.008868 0.831921 Biso 1.000000 O
O54 1.0 0.059828 0.609560 0.672156 Biso 1.000000 O
O55 1.0 0.401495 0.103595 0.155710 Biso 1.000000 O
O56 1.0 0.898458 0.506975 0.329888 Biso 1.000000 O
O57 1.0 0.903989 0.189442 0.623198 Biso 1.000000 O
O58 1.0 0.408357 0.433817 0.911432 Biso 1.000000 O
O59 1.0 0.056604 0.923135 0.377573 Biso 1.000000 O
O60 1.0 0.551655 0.677582 0.085998 Biso 1.000000 O
O61 1.0 0.866157 0.062372 0.611522 Biso 1.000000 O
O62 1.0 0.397516 0.565387 0.929080 Biso 1.000000 O
O63 1.0 0.090145 0.052124 0.377017 Biso 1.000000 O
O64 1.0 0.564701 0.546106 0.075683 Biso 1.000000 O
O65 1.0 0.876646 0.929693 0.590824 Biso 1.000000 O
O66 1.0 0.384188 0.696480 0.940948 Biso 1.000000 O
O67 1.0 0.102825 0.196711 0.407462 Biso 1.000000 O
O68 1.0 0.584762 0.415630 0.059101 Biso 1.000000 O
O69 1.0 0.689547 0.194133 0.647571 Biso 1.000000 O
O70 1.0 0.174123 0.430138 0.882012 Biso 1.000000 O
O71 1.0 0.270075 0.920574 0.352242 Biso 1.000000 O
O72 1.0 0.785318 0.684319 0.116320 Biso 1.000000 O
O73 1.0 0.695803 0.063455 0.618405 Biso 1.000000 O
O74 1.0 0.165115 0.555656 0.945578 Biso 1.000000 O
O75 1.0 0.257626 0.049640 0.389136 Biso 1.000000 O
O76 1.0 0.798013 0.557380 0.062337 Biso 1.000000 O
O77 1.0 0.674997 0.933134 0.598023 Biso 1.000000 O
O78 1.0 0.173990 0.688989 0.936804 Biso 1.000000 O
O79 1.0 0.261287 0.184218 0.407805 Biso 1.000000 O
O80 1.0 0.785454 0.424151 0.061783 Biso 1.000000 O
O81 1.0 0.480445 0.106943 0.788735 Biso 1.000000 O
O82 1.0 0.973628 0.511545 0.710030 Biso 1.000000 O
O83 1.0 0.473954 -0.001678 0.207158 Biso 1.000000 O
O84 1.0 0.986974 0.603529 0.292494 Biso 1.000000 O
O85 1.0 0.470869 0.922403 0.790334 Biso 1.000000 O
O86 1.0 0.966581 0.698257 0.718966 Biso 1.000000 O
O87 1.0 0.485598 0.197693 0.218930 Biso 1.000000 O
O88 1.0 0.992527 0.419804 0.282218 Biso 1.000000 O
O89 1.0 0.916156 0.811407 0.647665 Biso 1.000000 O
O90 1.0 0.412247 0.811132 0.854459 Biso 1.000000 O
O91 1.0 0.045298 0.307471 0.348230 Biso 1.000000 O
O92 1.0 0.549780 0.303435 0.147076 Biso 1.000000 O
O93 1.0 0.679043 0.809418 0.663942 Biso 1.000000 O
O94 1.0 0.176892 0.803706 0.845804 Biso 1.000000 O
O95 1.0 0.271049 0.298133 0.324791 Biso 1.000000 O
O96 1.0 0.786434 0.310450 0.155677 Biso 1.000000 O
O97 1.0 0.755945 0.803881 0.054219 Biso 1.000000 O
O98 1.0 0.251560 0.804273 0.436804 Biso 1.000000 O
O99 1.0 0.204122 0.309982 0.942329 Biso 1.000000 O
O100 1.0 0.709312 0.309838 0.564685 Biso 1.000000 O
O101 1.0 0.590105 0.803034 0.063963 Biso 1.000000 O
O102 1.0 0.088788 0.806078 0.445058 Biso 1.000000 O
O103 1.0 0.368092 0.309794 0.937476 Biso 1.000000 O
O104 1.0 0.874541 0.309095 0.557046 Biso 1.000000 O
O105 1.0 0.844296 0.493350 0.722200 Biso 1.000000 O
O106 1.0 0.355134 0.111299 0.742374 Biso 1.000000 O
O107 1.0 0.116165 0.621982 0.276387 Biso 1.000000 O
O108 1.0 0.594029 0.012020 0.273393 Biso 1.000000 O
O109 1.0 0.783069 0.490853 0.894722 Biso 1.000000 O
O110 1.0 0.304115 0.101059 0.560308 Biso 1.000000 O
O111 1.0 0.183822 0.628427 0.107919 Biso 1.000000 O
O112 1.0 0.655719 0.014364 0.445475 Biso 1.000000 O
O113 1.0 0.682432 0.502481 0.023771 Biso 1.000000 O
O114 1.0 0.179728 0.128806 0.507366 Biso 1.000000 O
O115 1.0 0.280471 0.615997 0.971512 Biso 1.000000 O
O116 1.0 0.777674 0.993698 0.507782 Biso 1.000000 O
O117 1.0 0.582154 0.490076 0.897821 Biso 1.000000 O
O118 1.0 0.043403 0.109666 0.563189 Biso 1.000000 O
O119 1.0 0.378028 0.624269 0.104169 Biso 1.000000 O
O120 1.0 0.901291 0.008334 0.440876 Biso 1.000000 O
O121 1.0 0.588500 0.506132 0.702364 Biso 1.000000 O
O122 1.0 0.096511 0.132894 0.741441 Biso 1.000000 O
O123 1.0 0.371242 0.607424 0.299258 Biso 1.000000 O
O124 1.0 0.854098 0.982986 0.260640 Biso 1.000000 O
O125 1.0 0.715963 0.522935 0.734624 Biso 1.000000 O
O126 1.0 0.225164 0.114468 0.713914 Biso 1.000000 O
O127 1.0 0.243099 0.588421 0.270948 Biso 1.000000 O
O128 1.0 0.723805 0.992708 0.280624 Biso 1.000000 O
O129 1.0 0.840777 0.728957 0.749304 Biso 1.000000 O
O130 1.0 0.356470 0.887872 0.714573 Biso 1.000000 O
O131 1.0 0.118811 0.391342 0.249301 Biso 1.000000 O
O132 1.0 0.606505 0.224468 0.282972 Biso 1.000000 O
O133 1.0 0.785731 0.710216 0.922709 Biso 1.000000 O
O134 1.0 0.292712 0.909715 0.545461 Biso 1.000000 O
O135 1.0 0.172205 0.402473 0.074905 Biso 1.000000 O
O136 1.0 0.669133 0.206688 0.452834 Biso 1.000000 O
O137 1.0 0.672324 0.702940 0.020369 Biso 1.000000 O
O138 1.0 0.170240 0.907631 0.478217 Biso 1.000000 O
O139 1.0 0.287012 0.410991 0.977772 Biso 1.000000 O
O140 1.0 0.790815 0.208148 0.524092 Biso 1.000000 O
O141 1.0 0.569131 0.729657 0.904782 Biso 1.000000 O
O142 1.0 0.055358 0.904212 0.571407 Biso 1.000000 O
O143 1.0 0.391189 0.385158 0.094005 Biso 1.000000 O
O144 1.0 0.904670 0.211614 0.430002 Biso 1.000000 O
O145 1.0 0.588324 0.717035 0.710507 Biso 1.000000 O
O146 1.0 0.098004 0.889788 0.758007 Biso 1.000000 O
O147 1.0 0.377626 0.392810 0.290272 Biso 1.000000 O
O148 1.0 0.867621 0.224828 0.239656 Biso 1.000000 O
O149 1.0 0.713007 0.697748 0.759775 Biso 1.000000 O
O150 1.0 0.224487 0.886599 0.708838 Biso 1.000000 O
O151 1.0 0.246807 0.424128 0.235703 Biso 1.000000 O
O152 1.0 0.739698 0.226038 0.290224 Biso 1.000000 O
O153 1.0 0.805364 0.607225 0.802674 Biso 1.000000 O
O154 1.0 0.290365 0.000824 0.690373 Biso 1.000000 O
O155 1.0 0.152218 0.510664 0.185478 Biso 1.000000 O
O156 1.0 0.674435 0.112738 0.312080 Biso 1.000000 O
O157 1.0 0.562673 0.609822 0.821575 Biso 1.000000 O
O158 1.0 0.068488 0.009750 0.690050 Biso 1.000000 O
O159 1.0 0.396959 0.503728 0.179218 Biso 1.000000 O
O160 1.0 0.891843 0.105804 0.309029 Biso 1.000000 O
O161 1.0 0.912955 0.434490 0.579098 Biso 1.000000 O
O162 1.0 0.401912 0.187297 0.890061 Biso 1.000000 O
O163 1.0 0.048862 0.682237 0.419527 Biso 1.000000 O
O164 1.0 0.567600 0.923224 0.130921 Biso 1.000000 O
O165 1.0 0.896585 0.565815 0.573539 Biso 1.000000 O
O166 1.0 0.395618 0.056055 0.914982 Biso 1.000000 O
O167 1.0 0.064157 0.551613 0.429679 Biso 1.000000 O
O168 1.0 0.564058 0.052650 0.088187 Biso 1.000000 O
O169 1.0 0.880996 0.697295 0.566485 Biso 1.000000 O
O170 1.0 0.361897 0.927401 0.903288 Biso 1.000000 O
O171 1.0 0.078567 0.420579 0.434573 Biso 1.000000 O
O172 1.0 0.588421 0.183695 0.096776 Biso 1.000000 O
O173 1.0 0.674245 0.433077 0.602862 Biso 1.000000 O
O174 1.0 0.181840 0.195057 0.854554 Biso 1.000000 O
O175 1.0 0.286028 0.678590 0.401139 Biso 1.000000 O
O176 1.0 0.775441 0.919344 0.138951 Biso 1.000000 O
O177 1.0 0.662253 0.562850 0.564298 Biso 1.000000 O
O178 1.0 0.165571 0.062257 0.871823 Biso 1.000000 O
O179 1.0 0.300039 0.547376 0.438148 Biso 1.000000 O
O180 1.0 0.786138 0.052796 0.130627 Biso 1.000000 O
O181 1.0 0.677614 0.695506 0.567835 Biso 1.000000 O
O182 1.0 0.189274 0.931199 0.887289 Biso 1.000000 O
O183 1.0 0.276898 0.413146 0.444244 Biso 1.000000 O
O184 1.0 0.774167 0.183761 0.109724 Biso 1.000000 O
O185 1.0 0.473566 0.513570 0.789735 Biso 1.000000 O
O186 1.0 0.970463 0.096678 0.724180 Biso 1.000000 O
O187 1.0 0.486329 0.600135 0.211188 Biso 1.000000 O
O188 1.0 0.980436 0.009809 0.283795 Biso 1.000000 O
O189 1.0 0.468400 0.699971 0.786190 Biso 1.000000 O
O190 1.0 0.974032 0.919702 0.723195 Biso 1.000000 O
O191 1.0 0.494230 0.417769 0.205294 Biso 1.000000 O
O192 1.0 0.992345 0.190650 0.293157 Biso 1.000000 O
O193 1.0 0.188026 0.287792 0.534131 Biso 1.000000 O
Si1 1.0 0.898282 0.119151 0.683203 Biso 1.000000 Si
Si2 1.0 0.404973 0.503948 0.850747 Biso 1.000000 Si
Si3 1.0 0.055964 0.992387 0.314794 Biso 1.000000 Si
Si4 1.0 0.555058 0.608900 0.151020 Biso 1.000000 Si
Si5 1.0 0.793374 0.089091 0.837429 Biso 1.000000 Si
Si6 1.0 0.284480 0.531477 0.705986 Biso 1.000000 Si
Si7 1.0 0.157351 0.023037 0.160192 Biso 1.000000 Si
Si8 1.0 0.675132 0.584287 0.297307 Biso 1.000000 Si
Si9 1.0 0.759658 0.111758 0.058826 Biso 1.000000 Si
Si10 1.0 0.259423 0.485342 0.489126 Biso 1.000000 Si
Si11 1.0 0.197134 0.003393 0.939462 Biso 1.000000 Si
Si12 1.0 0.700390 0.626051 0.514884 Biso 1.000000 Si
Si13 1.0 0.602693 0.115119 0.037050 Biso 1.000000 Si
Si14 1.0 0.102261 0.490752 0.485351 Biso 1.000000 Si
Si15 1.0 0.351559 0.996724 0.963469 Biso 1.000000 Si
Si16 1.0 0.858605 0.626510 0.517622 Biso 1.000000 Si
Si17 1.0 0.555714 0.088774 0.819847 Biso 1.000000 Si
Si18 1.0 0.051238 0.530187 0.695365 Biso 1.000000 Si
Si19 1.0 0.401020 0.023822 0.176967 Biso 1.000000 Si
Si20 1.0 0.909358 0.586291 0.307806 Biso 1.000000 Si
Si21 1.0 0.677175 0.121481 0.697316 Biso 1.000000 Si
Si22 1.0 0.161384 0.506960 0.848594 Biso 1.000000 Si
Si23 1.0 0.277252 0.993986 0.303570 Biso 1.000000 Si
Si24 1.0 0.799286 0.609033 0.155687 Biso 1.000000 Si
Si25 1.0 0.904823 0.887582 0.684511 Biso 1.000000 Si
Si26 1.0 0.401585 0.731707 0.834980 Biso 1.000000 Si
Si27 1.0 0.560973 0.383013 0.164619 Biso 1.000000 Si
Si28 1.0 0.792470 0.929614 0.829068 Biso 1.000000 Si
Si29 1.0 0.283836 0.686926 0.692471 Biso 1.000000 Si
Si30 1.0 0.163909 0.180984 0.162658 Biso 1.000000 Si
Si31 1.0 0.749080 0.883519 0.038716 Biso 1.000000 Si
Si32 1.0 0.247502 0.727486 0.477071 Biso 1.000000 Si
Si33 1.0 0.209800 0.230269 0.954499 Biso 1.000000 Si
Si34 1.0 0.713958 0.386173 0.525282 Biso 1.000000 Si
Si35 1.0 0.595893 0.881712 0.036468 Biso 1.000000 Si
Si36 1.0 0.094023 0.730641 0.488094 Biso 1.000000 Si
Si37 1.0 0.362664 0.232482 0.971215 Biso 1.000000 Si
Si38 1.0 0.867463 0.384440 0.513432 Biso 1.000000 Si
Si39 1.0 0.044979 0.687412 0.697168 Biso 1.000000 Si
Si40 1.0 0.914094 0.429364 0.303914 Biso 1.000000 Si
Si41 1.0 0.667946 0.886554 0.696740 Biso 1.000000 Si
Si42 1.0 0.162563 0.724480 0.830073 Biso 1.000000 Si
Si43 1.0 0.285839 0.223009 0.297533 Biso 1.000000 Si
Si44 1.0 0.797989 0.390117 0.169648 Biso 1.000000 Si
Si45 1.0 0.906218 0.501810 0.646476 Biso 1.000000 Si
Si46 1.0 0.407267 0.115543 0.834688 Biso 1.000000 Si
Si47 1.0 0.055274 0.614153 0.353874 Biso 1.000000 Si
Si48 1.0 0.551042 0.996928 0.174291 Biso 1.000000 Si
Si49 1.0 0.787200 0.528764 0.788402 Biso 1.000000 Si
Si50 1.0 0.294199 0.081258 0.679470 Biso 1.000000 Si
Si51 1.0 0.174031 0.586655 0.210716 Biso 1.000000 Si
Si52 1.0 0.662179 0.033186 0.328260 Biso 1.000000 Si
Si53 1.0 0.761767 0.493725 0.010731 Biso 1.000000 Si
Si54 1.0 0.255052 0.108974 0.466954 Biso 1.000000 Si
Si55 1.0 0.201242 0.621780 0.990776 Biso 1.000000 Si
Si56 1.0 0.701039 0.000592 0.543309 Biso 1.000000 Si
Si57 1.0 0.603604 0.488632 0.013837 Biso 1.000000 Si
Si58 1.0 0.359542 0.625271 0.987205 Biso 1.000000 Si
Si59 1.0 0.855193 0.998977 0.538378 Biso 1.000000 Si
Si60 1.0 0.551439 0.530180 0.803363 Biso 1.000000 Si
Si61 1.0 0.044309 0.087288 0.678580 Biso 1.000000 Si
Si62 1.0 0.408114 0.582746 0.198379 Biso 1.000000 Si
Si63 1.0 0.906886 0.026460 0.323612 Biso 1.000000 Si
Si64 1.0 0.660915 0.506155 0.650724 Biso 1.000000 Si
Si65 1.0 0.167227 0.125715 0.796753 Biso 1.000000 Si
Si66 1.0 0.299362 0.604943 0.353078 Biso 1.000000 Si
Si67 1.0 0.784342 0.987583 0.201929 Biso 1.000000 Si
Si68 1.0 0.901335 0.733300 0.670678 Biso 1.000000 Si
Si69 1.0 0.400701 0.886795 0.815950 Biso 1.000000 Si
Si70 1.0 0.059462 0.387083 0.328266 Biso 1.000000 Si
Si71 1.0 0.557678 0.227706 0.186852 Biso 1.000000 Si
Si72 1.0 0.785750 0.685677 0.808172 Biso 1.000000 Si
Si73 1.0 0.291142 0.920943 0.665225 Biso 1.000000 Si
Si74 1.0 0.175481 0.432473 0.187780 Biso 1.000000 Si
Si75 1.0 0.749529 0.725395 0.027703 Biso 1.000000 Si
Si76 1.0 0.245778 0.883951 0.454322 Biso 1.000000 Si
Si77 1.0 0.209687 0.388668 0.970951 Biso 1.000000 Si
Si78 1.0 0.714667 0.230158 0.546503 Biso 1.000000 Si
Si79 1.0 0.595707 0.727880 0.018819 Biso 1.000000 Si
Si80 1.0 0.092745 0.885090 0.468755 Biso 1.000000 Si
Si81 1.0 0.363567 0.385737 0.981561 Biso 1.000000 Si
Si82 1.0 0.868044 0.229924 0.533758 Biso 1.000000 Si
Si83 1.0 0.049207 0.930982 0.684957 Biso 1.000000 Si
Si84 1.0 0.913042 0.183509 0.318112 Biso 1.000000 Si
Si85 1.0 0.664449 0.729991 0.675664 Biso 1.000000 Si
Si86 1.0 0.172054 0.878173 0.800124 Biso 1.000000 Si
Si87 1.0 0.792083 0.235262 0.198960 Biso 1.000000 Si
Si88 1.0 0.547100 0.930412 0.826421 Biso 1.000000 Si
Si89 1.0 0.546955 0.688602 0.805685 Biso 1.000000 Si
Si90 1.0 0.672177 0.192561 0.333916 Biso 1.000000 Si
Si91 1.0 0.677081 0.428112 0.309039 Biso 1.000000 Si
Si92 1.0 0.411062 0.182046 0.181582 Biso 1.000000 Si
Si93 1.0 0.413735 0.424486 0.195536 Biso 1.000000 Si
Si94 1.0 0.059515 0.232318 0.313204 Biso 1.000000 Si
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_VESTA_phase_1_CCDC17
_database_code_depnum_ccdc_archive 'CCDC 2195187'
loop_
_audit_author_name
_audit_author_address
'Elena Khramenkova'
;TUDelft
Netherlands
;
_audit_update_record             
;
2022-08-05 deposited with the CCDC.	2022-11-02 downloaded from the CCDC.
;


_chemical_name_common            'Converted_POSCAR                      '
_cell_length_a                   20.24050
_cell_length_b                   20.01540
_cell_length_c                   13.43920
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'x, y, z'

loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.121175 0.062524 0.465667 Biso 1.000000 Al
Al2 1.0 0.319055 0.327466 0.313885 Biso 1.000000 Al
Al3 1.0 0.270392 0.262010 0.478772 Biso 1.000000 Al
H1 1.0 0.153995 0.280661 0.479768 Biso 1.000000 H
H2 1.0 0.307710 0.214401 0.633221 Biso 1.000000 H
H3 1.0 0.144057 0.185064 0.444650 Biso 1.000000 H
O1 1.0 0.872559 0.072737 0.775563 Biso 1.000000 O
O2 1.0 0.363824 0.444564 0.768432 Biso 1.000000 O
O3 1.0 0.120642 0.933953 0.211166 Biso 1.000000 O
O4 1.0 0.635940 0.557577 0.225596 Biso 1.000000 O
O5 1.0 0.821438 0.049755 0.950906 Biso 1.000000 O
O6 1.0 0.299885 0.427375 0.600193 Biso 1.000000 O
O7 1.0 0.183024 0.946912 0.044291 Biso 1.000000 O
O8 1.0 0.701251 0.572433 0.393414 Biso 1.000000 O
O9 1.0 0.703643 0.042409 0.034197 Biso 1.000000 O
O10 1.0 0.199625 0.443441 0.471476 Biso 1.000000 O
O11 1.0 0.297146 0.963214 0.950190 Biso 1.000000 O
O12 1.0 0.799356 0.558178 0.525945 Biso 1.000000 O
O13 1.0 0.598344 0.069067 0.920371 Biso 1.000000 O
O14 1.0 0.099398 0.428981 0.596086 Biso 1.000000 O
O15 1.0 0.394186 0.932104 0.076601 Biso 1.000000 O
O16 1.0 0.897798 0.573523 0.395978 Biso 1.000000 O
O17 1.0 0.621922 0.060182 0.725227 Biso 1.000000 O
O18 1.0 0.108941 0.452049 0.791436 Biso 1.000000 O
O19 1.0 0.375947 0.946982 0.271415 Biso 1.000000 O
O20 1.0 0.891440 0.552760 0.200347 Biso 1.000000 O
O21 1.0 0.743017 0.055511 0.794159 Biso 1.000000 O
O22 1.0 0.234964 0.472494 0.755896 Biso 1.000000 O
O23 1.0 0.252946 0.944025 0.208993 Biso 1.000000 O
O24 1.0 0.764667 0.530678 0.232738 Biso 1.000000 O
O25 1.0 0.875568 0.832395 0.774994 Biso 1.000000 O
O26 1.0 0.361805 0.664231 0.752485 Biso 1.000000 O
O27 1.0 0.126502 0.168551 0.219263 Biso 1.000000 O
O28 1.0 0.641613 0.335151 0.241480 Biso 1.000000 O
O29 1.0 0.813701 0.852930 0.942113 Biso 1.000000 O
O30 1.0 0.297281 0.668693 0.585083 Biso 1.000000 O
O31 1.0 0.189048 0.154772 0.052260 Biso 1.000000 O
O32 1.0 0.701263 0.334172 0.412709 Biso 1.000000 O
O33 1.0 0.692473 0.848721 0.012680 Biso 1.000000 O
O34 1.0 0.189367 0.649756 0.474237 Biso 1.000000 O
O35 1.0 0.309115 0.151985 0.977990 Biso 1.000000 O
O36 1.0 0.811174 0.352769 0.516934 Biso 1.000000 O
O37 1.0 0.574473 0.840914 0.930710 Biso 1.000000 O
O38 1.0 0.088045 0.674188 0.594460 Biso 1.000000 O
O39 1.0 0.425673 0.163789 0.066120 Biso 1.000000 O
O40 1.0 0.911816 0.328214 0.394249 Biso 1.000000 O
O41 1.0 0.617366 0.838651 0.740970 Biso 1.000000 O
O42 1.0 0.106661 0.653619 0.786857 Biso 1.000000 O
O43 1.0 0.384718 0.162533 0.254705 Biso 1.000000 O
O44 1.0 0.894527 0.349527 0.201345 Biso 1.000000 O
O45 1.0 0.745185 0.850529 0.774081 Biso 1.000000 O
O46 1.0 0.233378 0.633881 0.748508 Biso 1.000000 O
O47 1.0 0.256185 0.152791 0.222318 Biso 1.000000 O
O48 1.0 0.769648 0.364507 0.250538 Biso 1.000000 O
O49 1.0 0.824969 0.952372 0.813116 Biso 1.000000 O
O50 1.0 0.320793 0.551100 0.667676 Biso 1.000000 O
O51 1.0 0.179537 0.050193 0.172161 Biso 1.000000 O
O52 1.0 0.680746 0.449970 0.321417 Biso 1.000000 O
O53 1.0 0.587688 0.952877 0.829164 Biso 1.000000 O
O54 1.0 0.081607 0.551223 0.664813 Biso 1.000000 O
O55 1.0 0.415814 0.049530 0.162246 Biso 1.000000 O
O56 1.0 0.913809 0.452315 0.326263 Biso 1.000000 O
O57 1.0 0.924517 0.132956 0.620278 Biso 1.000000 O
O58 1.0 0.428397 0.378069 0.908330 Biso 1.000000 O
O59 1.0 0.084214 0.873596 0.375924 Biso 1.000000 O
O60 1.0 0.572397 0.622351 0.081749 Biso 1.000000 O
O61 1.0 0.889355 0.005106 0.608526 Biso 1.000000 O
O62 1.0 0.415419 0.508991 0.925229 Biso 1.000000 O
O63 1.0 0.102986 0.007576 0.371890 Biso 1.000000 O
O64 1.0 0.584768 0.490547 0.070980 Biso 1.000000 O
O65 1.0 0.894669 0.871897 0.589123 Biso 1.000000 O
O66 1.0 0.404644 0.640401 0.935402 Biso 1.000000 O
O67 1.0 0.112131 0.148153 0.413977 Biso 1.000000 O
O68 1.0 0.605277 0.359815 0.055348 Biso 1.000000 O
O69 1.0 0.711090 0.137384 0.644387 Biso 1.000000 O
O70 1.0 0.197629 0.372546 0.873352 Biso 1.000000 O
O71 1.0 0.294001 0.858977 0.348229 Biso 1.000000 O
O72 1.0 0.804048 0.628734 0.111866 Biso 1.000000 O
O73 1.0 0.716976 0.006662 0.614860 Biso 1.000000 O
O74 1.0 0.186983 0.497717 0.936371 Biso 1.000000 O
O75 1.0 0.280165 0.986371 0.392444 Biso 1.000000 O
O76 1.0 0.817676 0.501989 0.056655 Biso 1.000000 O
O77 1.0 0.698115 0.876334 0.592695 Biso 1.000000 O
O78 1.0 0.189755 0.631423 0.934608 Biso 1.000000 O
O79 1.0 0.305721 0.116151 0.399913 Biso 1.000000 O
O80 1.0 0.805318 0.368621 0.059256 Biso 1.000000 O
O81 1.0 0.502461 0.051228 0.785679 Biso 1.000000 O
O82 1.0 0.992929 0.455772 0.705753 Biso 1.000000 O
O83 1.0 0.494843 0.945982 0.202277 Biso 1.000000 O
O84 1.0 0.005564 0.545572 0.287479 Biso 1.000000 O
O85 1.0 0.493028 0.865209 0.783354 Biso 1.000000 O
O86 1.0 0.987302 0.638990 0.710811 Biso 1.000000 O
O87 1.0 0.509173 0.138185 0.212099 Biso 1.000000 O
O88 1.0 0.011987 0.371033 0.281851 Biso 1.000000 O
O89 1.0 0.937938 0.754281 0.644998 Biso 1.000000 O
O90 1.0 0.432923 0.754742 0.849716 Biso 1.000000 O
O91 1.0 0.056626 0.252211 0.336030 Biso 1.000000 O
O92 1.0 0.569822 0.247344 0.143810 Biso 1.000000 O
O93 1.0 0.699519 0.752739 0.658537 Biso 1.000000 O
O94 1.0 0.195236 0.745731 0.843118 Biso 1.000000 O
O95 1.0 0.303272 0.241468 0.353754 Biso 1.000000 O
O96 1.0 0.807594 0.254142 0.151900 Biso 1.000000 O
O97 1.0 0.774803 0.748402 0.050446 Biso 1.000000 O
O98 1.0 0.278593 0.742293 0.427009 Biso 1.000000 O
O99 1.0 0.228303 0.252730 0.932441 Biso 1.000000 O
O100 1.0 0.728982 0.253241 0.561923 Biso 1.000000 O
O101 1.0 0.610693 0.747890 0.059705 Biso 1.000000 O
O102 1.0 0.103369 0.750024 0.436706 Biso 1.000000 O
O103 1.0 0.389283 0.253763 0.932920 Biso 1.000000 O
O104 1.0 0.896383 0.252559 0.552475 Biso 1.000000 O
O105 1.0 0.863446 0.437906 0.716549 Biso 1.000000 O
O106 1.0 0.377525 0.046113 0.737276 Biso 1.000000 O
O107 1.0 0.135176 0.561056 0.270618 Biso 1.000000 O
O108 1.0 0.614700 0.955324 0.269405 Biso 1.000000 O
O109 1.0 0.803475 0.433453 0.890393 Biso 1.000000 O
O110 1.0 0.325907 0.042204 0.558383 Biso 1.000000 O
O111 1.0 0.201603 0.568287 0.101693 Biso 1.000000 O
O112 1.0 0.676764 0.958052 0.441548 Biso 1.000000 O
O113 1.0 0.702472 0.446574 0.018441 Biso 1.000000 O
O114 1.0 0.203237 0.065574 0.499280 Biso 1.000000 O
O115 1.0 0.299480 0.561849 0.966647 Biso 1.000000 O
O116 1.0 0.799490 0.939255 0.502650 Biso 1.000000 O
O117 1.0 0.601214 0.433427 0.893898 Biso 1.000000 O
O118 1.0 0.066349 0.056344 0.562497 Biso 1.000000 O
O119 1.0 0.397000 0.569767 0.099386 Biso 1.000000 O
O120 1.0 0.923777 0.949100 0.438650 Biso 1.000000 O
O121 1.0 0.607911 0.450023 0.698431 Biso 1.000000 O
O122 1.0 0.118509 0.076614 0.742510 Biso 1.000000 O
O123 1.0 0.391499 0.548827 0.293741 Biso 1.000000 O
O124 1.0 0.874243 0.924491 0.259459 Biso 1.000000 O
O125 1.0 0.735230 0.466811 0.731569 Biso 1.000000 O
O126 1.0 0.248346 0.058067 0.715914 Biso 1.000000 O
O127 1.0 0.263034 0.532119 0.264262 Biso 1.000000 O
O128 1.0 0.744110 0.936699 0.276192 Biso 1.000000 O
O129 1.0 0.862590 0.671309 0.746213 Biso 1.000000 O
O130 1.0 0.376892 0.831694 0.713335 Biso 1.000000 O
O131 1.0 0.135004 0.332815 0.239791 Biso 1.000000 O
O132 1.0 0.627270 0.169270 0.279914 Biso 1.000000 O
O133 1.0 0.806216 0.655308 0.918503 Biso 1.000000 O
O134 1.0 0.315247 0.845798 0.543357 Biso 1.000000 O
O135 1.0 0.190357 0.343755 0.065245 Biso 1.000000 O
O136 1.0 0.689937 0.150221 0.449504 Biso 1.000000 O
O137 1.0 0.692132 0.647343 0.013669 Biso 1.000000 O
O138 1.0 0.194195 0.841610 0.475250 Biso 1.000000 O
O139 1.0 0.308047 0.354468 0.978088 Biso 1.000000 O
O140 1.0 0.811640 0.152625 0.520304 Biso 1.000000 O
O141 1.0 0.588252 0.674230 0.900381 Biso 1.000000 O
O142 1.0 0.079321 0.847078 0.568014 Biso 1.000000 O
O143 1.0 0.413315 0.328004 0.091029 Biso 1.000000 O
O144 1.0 0.925168 0.154433 0.426212 Biso 1.000000 O
O145 1.0 0.609292 0.660079 0.706436 Biso 1.000000 O
O146 1.0 0.118716 0.834400 0.756268 Biso 1.000000 O
O147 1.0 0.399722 0.343492 0.286667 Biso 1.000000 O
O148 1.0 0.886703 0.166794 0.236748 Biso 1.000000 O
O149 1.0 0.734151 0.641422 0.754793 Biso 1.000000 O
O150 1.0 0.245196 0.825855 0.707140 Biso 1.000000 O
O151 1.0 0.264125 0.355771 0.227786 Biso 1.000000 O
O152 1.0 0.759513 0.169968 0.285660 Biso 1.000000 O
O153 1.0 0.824940 0.550620 0.801030 Biso 1.000000 O
O154 1.0 0.305783 0.941118 0.684645 Biso 1.000000 O
O155 1.0 0.175840 0.450212 0.182026 Biso 1.000000 O
O156 1.0 0.694337 0.056625 0.308215 Biso 1.000000 O
O157 1.0 0.582969 0.553701 0.818626 Biso 1.000000 O
O158 1.0 0.089992 0.954021 0.685907 Biso 1.000000 O
O159 1.0 0.419380 0.448825 0.167797 Biso 1.000000 O
O160 1.0 0.910392 0.047088 0.308239 Biso 1.000000 O
O161 1.0 0.933136 0.378524 0.574843 Biso 1.000000 O
O162 1.0 0.418560 0.132641 0.873405 Biso 1.000000 O
O163 1.0 0.068714 0.623499 0.413484 Biso 1.000000 O
O164 1.0 0.586578 0.868721 0.124787 Biso 1.000000 O
O165 1.0 0.917118 0.509892 0.567606 Biso 1.000000 O
O166 1.0 0.418674 0.002662 0.915959 Biso 1.000000 O
O167 1.0 0.082867 0.491578 0.422181 Biso 1.000000 O
O168 1.0 0.585433 0.998790 0.085083 Biso 1.000000 O
O169 1.0 0.899781 0.641438 0.561939 Biso 1.000000 O
O170 1.0 0.387364 0.872614 0.902033 Biso 1.000000 O
O171 1.0 0.101814 0.359550 0.428454 Biso 1.000000 O
O172 1.0 0.613804 0.129399 0.091953 Biso 1.000000 O
O173 1.0 0.694285 0.376520 0.599999 Biso 1.000000 O
O174 1.0 0.204374 0.134862 0.859088 Biso 1.000000 O
O175 1.0 0.306483 0.612334 0.407971 Biso 1.000000 O
O176 1.0 0.795699 0.863274 0.135240 Biso 1.000000 O
O177 1.0 0.681983 0.505931 0.560100 Biso 1.000000 O
O178 1.0 0.185273 0.002332 0.868669 Biso 1.000000 O
O179 1.0 0.320949 0.478587 0.420292 Biso 1.000000 O
O180 1.0 0.808861 0.996686 0.128506 Biso 1.000000 O
O181 1.0 0.697797 0.638578 0.563319 Biso 1.000000 O
O182 1.0 0.210957 0.872210 0.887338 Biso 1.000000 O
O183 1.0 0.289800 0.349740 0.440112 Biso 1.000000 O
O184 1.0 0.794566 0.127526 0.104642 Biso 1.000000 O
O185 1.0 0.493035 0.458353 0.786160 Biso 1.000000 O
O186 1.0 0.992858 0.041043 0.722223 Biso 1.000000 O
O187 1.0 0.506563 0.545721 0.205790 Biso 1.000000 O
O188 1.0 1.000531 0.950811 0.279168 Biso 1.000000 O
O189 1.0 0.488910 0.643451 0.780590 Biso 1.000000 O
O190 1.0 0.995543 0.863767 0.716257 Biso 1.000000 O
O191 1.0 0.516638 0.362600 0.202532 Biso 1.000000 O
O192 1.0 0.009855 0.132163 0.285035 Biso 1.000000 O
O193 1.0 0.185272 0.243377 0.476295 Biso 1.000000 O
O194 1.0 0.318882 0.241710 0.576443 Biso 1.000000 O
Si1 1.0 0.920862 0.062336 0.680301 Biso 1.000000 Si
Si2 1.0 0.424665 0.447852 0.847077 Biso 1.000000 Si
Si3 1.0 0.077569 0.943064 0.313019 Biso 1.000000 Si
Si4 1.0 0.575783 0.553614 0.146090 Biso 1.000000 Si
Si5 1.0 0.815338 0.031869 0.833763 Biso 1.000000 Si
Si6 1.0 0.305471 0.474239 0.699437 Biso 1.000000 Si
Si7 1.0 0.183866 0.969164 0.159964 Biso 1.000000 Si
Si8 1.0 0.695385 0.527577 0.292906 Biso 1.000000 Si
Si9 1.0 0.781675 0.054604 0.055323 Biso 1.000000 Si
Si10 1.0 0.277493 0.426608 0.484987 Biso 1.000000 Si
Si11 1.0 0.219204 0.945503 0.937154 Biso 1.000000 Si
Si12 1.0 0.720269 0.569065 0.510680 Biso 1.000000 Si
Si13 1.0 0.625487 0.059789 0.032995 Biso 1.000000 Si
Si14 1.0 0.120201 0.431908 0.479887 Biso 1.000000 Si
Si15 1.0 0.374145 0.942162 0.960822 Biso 1.000000 Si
Si16 1.0 0.878127 0.570632 0.512860 Biso 1.000000 Si
Si17 1.0 0.577447 0.032877 0.816595 Biso 1.000000 Si
Si18 1.0 0.070655 0.472507 0.689824 Biso 1.000000 Si
Si19 1.0 0.420361 0.968972 0.176964 Biso 1.000000 Si
Si20 1.0 0.927327 0.531058 0.303000 Biso 1.000000 Si
Si21 1.0 0.698877 0.064625 0.693996 Biso 1.000000 Si
Si22 1.0 0.182415 0.448844 0.840015 Biso 1.000000 Si
Si23 1.0 0.300194 0.934554 0.305426 Biso 1.000000 Si
Si24 1.0 0.818586 0.553499 0.150207 Biso 1.000000 Si
Si25 1.0 0.926189 0.830738 0.681344 Biso 1.000000 Si
Si26 1.0 0.422333 0.675686 0.829403 Biso 1.000000 Si
Si27 1.0 0.582853 0.326454 0.160849 Biso 1.000000 Si
Si28 1.0 0.814575 0.872449 0.825276 Biso 1.000000 Si
Si29 1.0 0.303298 0.629340 0.689728 Biso 1.000000 Si
Si30 1.0 0.188111 0.130126 0.166605 Biso 1.000000 Si
Si31 1.0 0.768988 0.828200 0.034915 Biso 1.000000 Si
Si32 1.0 0.267728 0.668230 0.472958 Biso 1.000000 Si
Si33 1.0 0.232862 0.173475 0.955188 Biso 1.000000 Si
Si34 1.0 0.734004 0.329406 0.522599 Biso 1.000000 Si
Si35 1.0 0.615995 0.826731 0.031734 Biso 1.000000 Si
Si36 1.0 0.112769 0.674933 0.479475 Biso 1.000000 Si
Si37 1.0 0.385722 0.175328 0.962934 Biso 1.000000 Si
Si38 1.0 0.887666 0.327804 0.509810 Biso 1.000000 Si
Si39 1.0 0.065766 0.629327 0.689431 Biso 1.000000 Si
Si40 1.0 0.932466 0.375398 0.300740 Biso 1.000000 Si
Si41 1.0 0.690193 0.830190 0.691521 Biso 1.000000 Si
Si42 1.0 0.181393 0.666926 0.827014 Biso 1.000000 Si
Si43 1.0 0.312600 0.165007 0.305634 Biso 1.000000 Si
Si44 1.0 0.818844 0.333697 0.166249 Biso 1.000000 Si
Si45 1.0 0.925608 0.446095 0.641406 Biso 1.000000 Si
Si46 1.0 0.428193 0.057982 0.828219 Biso 1.000000 Si
Si47 1.0 0.074021 0.555602 0.347981 Biso 1.000000 Si
Si48 1.0 0.571487 0.942465 0.169816 Biso 1.000000 Si
Si49 1.0 0.806723 0.472437 0.784719 Biso 1.000000 Si
Si50 1.0 0.314114 0.021523 0.673909 Biso 1.000000 Si
Si51 1.0 0.193728 0.527465 0.204930 Biso 1.000000 Si
Si52 1.0 0.682616 0.976939 0.324266 Biso 1.000000 Si
Si53 1.0 0.781881 0.437578 0.006320 Biso 1.000000 Si
Si54 1.0 0.276993 0.052071 0.462903 Biso 1.000000 Si
Si55 1.0 0.220027 0.564536 0.984725 Biso 1.000000 Si
Si56 1.0 0.722903 0.944544 0.538595 Biso 1.000000 Si
Si57 1.0 0.623664 0.432744 0.009490 Biso 1.000000 Si
Si58 1.0 0.378672 0.570165 0.982113 Biso 1.000000 Si
Si59 1.0 0.876837 0.941997 0.535501 Biso 1.000000 Si
Si60 1.0 0.571236 0.474254 0.799630 Biso 1.000000 Si
Si61 1.0 0.067026 0.032274 0.675951 Biso 1.000000 Si
Si62 1.0 0.428945 0.527721 0.191279 Biso 1.000000 Si
Si63 1.0 0.927890 0.967910 0.321327 Biso 1.000000 Si
Si64 1.0 0.680542 0.449677 0.647149 Biso 1.000000 Si
Si65 1.0 0.189271 0.067176 0.796497 Biso 1.000000 Si
Si66 1.0 0.319810 0.544067 0.346759 Biso 1.000000 Si
Si67 1.0 0.805435 0.931050 0.199142 Biso 1.000000 Si
Si68 1.0 0.922102 0.676321 0.666093 Biso 1.000000 Si
Si69 1.0 0.422628 0.831189 0.812470 Biso 1.000000 Si
Si70 1.0 0.076216 0.330197 0.319981 Biso 1.000000 Si
Si71 1.0 0.580045 0.171214 0.182036 Biso 1.000000 Si
Si72 1.0 0.806427 0.629452 0.804641 Biso 1.000000 Si
Si73 1.0 0.310752 0.861651 0.661747 Biso 1.000000 Si
Si74 1.0 0.193487 0.370984 0.178976 Biso 1.000000 Si
Si75 1.0 0.769094 0.670237 0.022848 Biso 1.000000 Si
Si76 1.0 0.270219 0.821874 0.449254 Biso 1.000000 Si
Si77 1.0 0.231487 0.330720 0.963536 Biso 1.000000 Si
Si78 1.0 0.735402 0.173588 0.543227 Biso 1.000000 Si
Si79 1.0 0.615778 0.672971 0.013887 Biso 1.000000 Si
Si80 1.0 0.115119 0.828648 0.463785 Biso 1.000000 Si
Si81 1.0 0.384732 0.328873 0.978379 Biso 1.000000 Si
Si82 1.0 0.889215 0.173021 0.530178 Biso 1.000000 Si
Si83 1.0 0.071338 0.875446 0.680476 Biso 1.000000 Si
Si84 1.0 0.931814 0.124767 0.314736 Biso 1.000000 Si
Si85 1.0 0.685213 0.673517 0.671031 Biso 1.000000 Si
Si86 1.0 0.192429 0.820874 0.798286 Biso 1.000000 Si
Si87 1.0 0.812074 0.178501 0.194678 Biso 1.000000 Si
Si88 1.0 0.568747 0.874461 0.820974 Biso 1.000000 Si
Si89 1.0 0.567378 0.632500 0.801369 Biso 1.000000 Si
Si90 1.0 0.692512 0.136318 0.330515 Biso 1.000000 Si
Si91 1.0 0.698463 0.371418 0.305872 Biso 1.000000 Si
Si92 1.0 0.433919 0.127884 0.173431 Biso 1.000000 Si
Si93 1.0 0.437079 0.370535 0.188656 Biso 1.000000 Si
Si94 1.0 0.074901 0.175412 0.309949 Biso 1.000000 Si
