# Supplementary Information (SI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_mo_svib1772_0m
_database_code_depnum_ccdc_archive 'CCDC 2366309'
loop_
_audit_author_name
_audit_author_address
'Svilen Bobev'
;University of Delaware
United States of America
;
_audit_update_record             
;
2024-06-27 deposited with the CCDC.	2024-08-19 downloaded from the CCDC.
;
_audit_creation_date             2024-06-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Al0.32 Ca10.983 Sb9'
_chemical_formula_sum            'Al0.32 Ca10.98 Sb9'
_chemical_formula_weight         1544.56
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           136
_space_group_name_H-M_alt        'P 42/m n m'
_space_group_name_Hall           '-P 4n 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y, x, -z'
'-y, -x, -z'
'-x, -y, -z'
'x, y, -z'
'y-1/2, -x-1/2, -z-1/2'
'-y-1/2, x-1/2, -z-1/2'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z-1/2'
'-y, -x, z'
'y, x, z'

_cell_length_a                   11.9035(3)
_cell_length_b                   11.9035(3)
_cell_length_c                   17.1558(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2430.86(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3346
_cell_measurement_temperature    199.99
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   0.439
_shelx_estimated_absorpt_T_min   0.267
_exptl_absorpt_coefficient_mu    12.147
_exptl_absorpt_correction_T_max  0.2627
_exptl_absorpt_correction_T_min  0.1631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0679 before and 0.0520 after correction.
The Ratio of minimum to maximum transmission is 0.6209.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    4.220
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             2731
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5.00 2.00 5.00 0.0310
-5.00 0.00 3.00 0.0330
-5.00 -3.00 0.00 0.0290
-5.00 -4.00 -4.00 0.0550
-4.00 2.00 -1.00 0.0560
-4.00 -5.00 -3.00 0.0470
-3.00 5.00 3.00 0.0380
-3.00 2.00 -3.00 0.0650
-2.00 4.00 1.00 0.0470
-2.00 -4.00 5.00 0.0180
-1.00 -2.00 2.00 0.0180
-1.00 4.00 -5.00 0.0710
0.00 -1.00 -1.00 0.0600
0.00 1.00 -3.00 0.0730
0.00 -1.00 3.00 0.0230
1.00 -3.00 0.00 0.0190
1.00 2.00 2.00 0.0350
1.00 5.00 4.00 0.0300
1.00 -1.00 3.00 0.0260
2.00 5.00 -1.00 0.0490
3.00 1.00 -4.00 0.0590
4.00 -5.00 -3.00 0.0370
4.00 5.00 -4.00 0.0570
5.00 -2.00 -5.00 0.0460
5.00 0.00 -3.00 0.0560
5.00 -2.00 1.00 0.0470

_exptl_crystal_size_max          0.148
_exptl_crystal_size_mid          0.107
_exptl_crystal_size_min          0.081
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17075
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.284
_diffrn_reflns_theta_min         2.082
_diffrn_ambient_temperature      199.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1446
_reflns_number_total             1664
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.309
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.199
_refine_ls_extinction_coef       0.000138(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     76
_refine_ls_number_reflns         1664
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0274
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0060P)²+12.0171P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0441
_refine_ls_wR_factor_ref         0.0460
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(Ca3A) = Uanis(Ca3B)
Uanis(Ca6A) = Uanis(Ca6B)
Uanis(Sb4A) = Uanis(Sb4B)
Uanis(Sb2A) = Uanis(Sb2B)
Uanis(Sb3A) = Uanis(Sb3B)
2. Others
 Fixed Sof: Ca3A(0.24) Ca3B(0.01) Ca6A(0.17) Ca6B(0.08) Al1(0.08) Sb2A(0.34)
 Sb2B(0.16) Sb3A(0.34) Sb3B(0.16) Sb4A(0.2325) Sb4B(0.0175) Ca4(0.17)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca1 Ca 0.00701(9) 0.25126(8) 0.18920(6) 0.0136(2) Uani 1 1 d . . . . .
Ca2 Ca 0.01191(8) 0.33668(8) 0.39637(5) 0.0111(2) Uani 1 1 d . . . . .
Ca3A Ca 0.17878(15) 0.82122(15) 0.000000 0.0144(5) Uani 0.96 4 d S T P . .
Ca3B Ca 0.139(4) 0.861(4) 0.000000 0.0144(5) Uani 0.04 4 d S T P . .
Ca5 Ca 0.3106(5) 0.3106(5) 0.000000 0.018(2) Uani 0.303(8) 4 d S T . . .
Ca6A Ca 0.000000 0.000000 0.3602(2) 0.0127(11) Uani 0.68 4 d S T P . .
Ca6B Ca 0.000000 0.000000 0.3388(8) 0.0127(11) Uani 0.32 4 d S T P . .
Al1 Al 0.0964(6) 0.0964(6) 0.000000 0.0093(18) Uani 0.32 4 d S T P . .
Sb1 Sb 0.21983(3) 0.21983(3) 0.31823(3) 0.01270(11) Uani 1 2 d S T P . .
Sb2A Sb 0.30239(13) 0.30239(13) 0.16673(14) 0.0113(3) Uani 0.68 2 d S T P . .
Sb2B Sb 0.3172(3) 0.3172(3) 0.1794(4) 0.0113(3) Uani 0.32 2 d S T P . .
Sb3A Sb 0.00573(7) 0.35139(7) 0.000000 0.01099(17) Uani 0.68 2 d S T P . .
Sb3B Sb 0.04188(16) 0.32184(18) 0.000000 0.01099(17) Uani 0.32 2 d S T P . .
Sb4A Sb 0.37352(5) 0.62648(5) 0.000000 0.01575(17) Uani 0.93 4 d S T P . .
Sb4B Sb 0.4124(7) 0.5876(7) 0.000000 0.01575(17) Uani 0.07 4 d S T P . .
Sb5 Sb 0.000000 0.000000 0.12732(4) 0.01259(15) Uani 1 4 d S T P . .
Sb6 Sb 0.000000 0.500000 0.250000 0.00809(13) Uani 1 4 d S T P . .
Ca4 Ca 0.1642(3) 0.1642(3) 0.000000 0.0424(12) Uani 0.68 4 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ca1 Ca2 3.6973(14) . ?
Ca1 Ca2 3.7700(14) 11_566 ?
Ca1 Sb1 3.4380(11) 11_566 ?
Ca1 Sb1 3.3849(11) . ?
Ca1 Sb2A 3.5283(17) 11_566 ?
Ca1 Sb2A 3.589(2) . ?
Ca1 Sb2B 3.294(4) 11_566 ?
Ca1 Sb2B 3.779(5) . ?
Ca1 Sb3A 3.4578(11) . ?
Ca1 Sb3B 3.3784(12) . ?
Ca1 Sb5 3.1748(10) . ?
Ca1 Sb6 3.1403(10) . ?
Ca2 Ca2 3.5556(19) 10_556 ?
Ca2 Ca5 3.4608(14) 11_566 ?
Ca2 Sb1 3.1397(10) . ?
Ca2 Sb2A 3.1832(15) 11_566 ?
Ca2 Sb2B 3.227(3) 11_566 ?
Ca2 Sb3A 3.1396(11) 3 ?
Ca2 Sb3A 3.2141(12) 11_566 ?
Ca2 Sb3B 3.6115(18) 3 ?
Ca2 Sb3B 3.220(2) 11_566 ?
Ca2 Sb4A 3.3588(10) 11_566 ?
Ca2 Sb4B 3.572(5) 11_566 ?
Ca2 Sb6 3.1789(9) . ?
Ca3A Ca3B 0.67(6) . ?
Ca3A Al1 3.419(5) 9_565 ?
Ca3A Al1 3.419(5) 1_565 ?
Ca3A Sb1 3.5549(13) 3_554 ?
Ca3A Sb1 3.5549(13) 12_666 ?
Ca3A Sb3A 3.0076(9) 7_565 ?
Ca3A Sb3A 3.0076(9) 9_565 ?
Ca3A Sb3B 3.130(2) 9_565 ?
Ca3A Sb3B 3.130(2) 7_565 ?
Ca3A Sb4A 3.278(3) . ?
Ca3A Sb5 3.719(2) 9_565 ?
Ca3A Sb5 3.719(2) 1_565 ?
Ca3B Al1 2.85(5) 9_565 ?
Ca3B Al1 2.85(5) 1_565 ?
Ca3B Sb3A 3.059(12) 7_565 ?
Ca3B Sb3A 3.059(12) 9_565 ?
Ca3B Sb3B 3.061(2) 9_565 ?
Ca3B Sb3B 3.061(2) 7_565 ?
Ca3B Sb5 3.20(5) 1_565 ?
Ca3B Sb5 3.20(5) 9_565 ?
Ca3B Ca4 3.62(4) 9_565 ?
Ca3B Ca4 3.62(4) 1_565 ?
Ca5 Sb2A 2.864(3) . ?
Ca5 Sb2A 2.864(3) 10 ?
Ca5 Sb2B 3.079(6) 10 ?
Ca5 Sb2B 3.079(6) . ?
Ca5 Sb3B 3.201(6) . ?
Ca5 Sb3B 3.201(6) 7 ?
Ca5 Sb4B 3.514(9) 9_665 ?
Ca5 Ca4 2.464(10) . ?
Ca6A Sb1 3.7701(9) . ?
Ca6A Sb1 3.7702(9) 2 ?
Ca6A Sb2A 3.358(2) 12_656 ?
Ca6A Sb2A 3.358(2) 11_566 ?
Ca6A Sb2B 3.151(6) 12_656 ?
Ca6A Sb2B 3.151(6) 11_566 ?
Ca6A Sb4A 3.207(3) 3_545 ?
Ca6A Sb4A 3.207(3) 11_566 ?
Ca6A Sb4B 2.816(7) 11_566 ?
Ca6A Sb4B 2.816(7) 3_545 ?
Ca6B Sb1 3.7174(13) . ?
Ca6B Sb1 3.7175(13) 2 ?
Ca6B Sb2A 3.328(2) 11_566 ?
Ca6B Sb2A 3.328(2) 12_656 ?
Ca6B Sb2B 3.092(6) 11_566 ?
Ca6B Sb2B 3.092(6) 12_656 ?
Ca6B Sb4A 3.491(10) 3_545 ?
Ca6B Sb4A 3.491(10) 11_566 ?
Ca6B Sb4B 3.135(13) 3_545 ?
Ca6B Sb4B 3.135(13) 11_566 ?
Ca6B Sb5 3.627(13) . ?
Al1 Sb3B 2.761(5) . ?
Al1 Sb3B 2.761(5) 7 ?
Al1 Sb5 2.721(6) . ?
Al1 Sb5 2.721(6) 9 ?
Al1 Ca4 1.142(10) . ?
Sb1 Sb2A 2.947(3) . ?
Sb1 Sb2B 2.892(7) . ?
Sb2A Ca4 3.687(4) . ?
Sb3A Sb3B 0.5559(16) . ?
Sb3A Ca4 2.9195(9) . ?
Sb3B Ca4 2.3750(19) . ?
Sb4A Sb4B 0.654(12) . ?
Sb4B Sb4B 2.95(2) 9_665 ?
Sb5 Ca4 3.523(4) . ?
Sb5 Ca4 3.523(4) 9 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ca2 Ca1 Ca2 100.21(3) . 11_566 ?
Ca2 Ca1 Sb2B 88.30(9) . . ?
Ca2 Ca1 Sb2B 110.65(7) 11_566 . ?
Sb1 Ca1 Ca2 51.39(2) 11_566 11_566 ?
Sb1 Ca1 Ca2 137.71(3) . 11_566 ?
Sb1 Ca1 Ca2 52.41(2) . . ?
Sb1 Ca1 Ca2 91.36(3) 11_566 . ?
Sb1 Ca1 Sb1 141.21(3) . 11_566 ?
Sb1 Ca1 Sb2A 92.21(5) . 11_566 ?
Sb1 Ca1 Sb2A 50.04(5) 11_566 11_566 ?
Sb1 Ca1 Sb2A 49.89(4) . . ?
Sb1 Ca1 Sb2A 162.38(4) 11_566 . ?
Sb1 Ca1 Sb2B 47.22(10) . . ?
Sb1 Ca1 Sb2B 161.65(7) 11_566 . ?
Sb1 Ca1 Sb3A 85.78(3) 11_566 . ?
Sb1 Ca1 Sb3A 130.94(3) . . ?
Sb2A Ca1 Ca2 52.21(4) 11_566 . ?
Sb2A Ca1 Ca2 92.36(4) . . ?
Sb2A Ca1 Ca2 92.11(5) 11_566 11_566 ?
Sb2A Ca1 Ca2 110.99(4) . 11_566 ?
Sb2A Ca1 Sb2A 141.46(3) 11_566 . ?
Sb2A Ca1 Sb2B 4.21(10) . . ?
Sb2A Ca1 Sb2B 138.02(13) 11_566 . ?
Sb2B Ca1 Ca2 54.61(8) 11_566 . ?
Sb2B Ca1 Ca2 94.75(12) 11_566 11_566 ?
Sb2B Ca1 Sb1 50.83(12) 11_566 11_566 ?
Sb2B Ca1 Sb1 92.19(12) 11_566 . ?
Sb2B Ca1 Sb2A 3.93(8) 11_566 11_566 ?
Sb2B Ca1 Sb2A 141.93(15) 11_566 . ?
Sb2B Ca1 Sb2B 138.77(5) 11_566 . ?
Sb2B Ca1 Sb3A 136.45(12) 11_566 . ?
Sb2B Ca1 Sb3B 143.46(12) 11_566 . ?
Sb3A Ca1 Ca2 51.27(2) . 11_566 ?
Sb3A Ca1 Ca2 143.87(4) . . ?
Sb3A Ca1 Sb2A 135.80(6) . 11_566 ?
Sb3A Ca1 Sb2A 81.09(5) . . ?
Sb3A Ca1 Sb2B 83.73(10) . . ?
Sb3B Ca1 Ca2 60.40(4) . 11_566 ?
Sb3B Ca1 Ca2 148.57(5) . . ?
Sb3B Ca1 Sb1 124.32(5) . . ?
Sb3B Ca1 Sb1 93.54(4) . 11_566 ?
Sb3B Ca1 Sb2A 143.40(6) . 11_566 ?
Sb3B Ca1 Sb2A 74.59(6) . . ?
Sb3B Ca1 Sb2B 77.61(10) . . ?
Sb3B Ca1 Sb3A 9.23(3) . . ?
Sb5 Ca1 Ca2 125.52(4) . . ?
Sb5 Ca1 Ca2 124.06(3) . 11_566 ?
Sb5 Ca1 Sb1 97.71(3) . . ?
Sb5 Ca1 Sb1 93.20(3) . 11_566 ?
Sb5 Ca1 Sb2A 98.60(3) . . ?
Sb5 Ca1 Sb2A 92.61(3) . 11_566 ?
Sb5 Ca1 Sb2B 101.92(5) . . ?
Sb5 Ca1 Sb2B 88.72(6) . 11_566 ?
Sb5 Ca1 Sb3A 90.62(3) . . ?
Sb5 Ca1 Sb3B 85.20(4) . . ?
Sb6 Ca1 Ca2 53.85(2) . 11_566 ?
Sb6 Ca1 Ca2 54.68(2) . . ?
Sb6 Ca1 Sb1 83.77(2) . 11_566 ?
Sb6 Ca1 Sb1 84.66(2) . . ?
Sb6 Ca1 Sb2A 84.37(3) . . ?
Sb6 Ca1 Sb2A 85.39(3) . 11_566 ?
Sb6 Ca1 Sb2B 89.30(6) . 11_566 ?
Sb6 Ca1 Sb2B 81.08(5) . . ?
Sb6 Ca1 Sb3A 89.24(3) . . ?
Sb6 Ca1 Sb3B 95.05(4) . . ?
Sb6 Ca1 Sb5 176.97(4) . . ?
Ca2 Ca2 Sb3B 60.51(2) 10_556 3 ?
Ca2 Ca2 Sb4B 60.15(5) 10_556 11_566 ?
Ca5 Ca2 Ca2 59.089(19) 11_566 10_556 ?
Ca5 Ca2 Sb3B 117.98(4) 11_566 3 ?
Ca5 Ca2 Sb4B 59.92(19) 11_566 11_566 ?
Sb1 Ca2 Ca2 115.278(19) . 10_556 ?
Sb1 Ca2 Ca5 122.74(13) . 11_566 ?
Sb1 Ca2 Sb2A 104.00(4) . 11_566 ?
Sb1 Ca2 Sb2B 98.20(8) . 11_566 ?
Sb1 Ca2 Sb3A 164.45(4) . 11_566 ?
Sb1 Ca2 Sb3A 96.73(3) . 3 ?
Sb1 Ca2 Sb3B 94.47(4) . 3 ?
Sb1 Ca2 Sb3B 171.30(4) . 11_566 ?
Sb1 Ca2 Sb4A 64.91(2) . 11_566 ?
Sb1 Ca2 Sb4B 69.27(8) . 11_566 ?
Sb1 Ca2 Sb6 88.21(3) . . ?
Sb2A Ca2 Ca2 109.88(4) 11_566 10_556 ?
Sb2A Ca2 Ca5 50.85(5) 11_566 11_566 ?
Sb2A Ca2 Sb2B 5.86(9) 11_566 11_566 ?
Sb2A Ca2 Sb3A 91.48(4) 11_566 11_566 ?
Sb2A Ca2 Sb3B 82.57(4) 11_566 11_566 ?
Sb2A Ca2 Sb3B 161.53(5) 11_566 3 ?
Sb2A Ca2 Sb4A 96.35(6) 11_566 11_566 ?
Sb2A Ca2 Sb4B 86.29(18) 11_566 11_566 ?
Sb2B Ca2 Ca2 113.74(10) 11_566 10_556 ?
Sb2B Ca2 Ca5 54.69(10) 11_566 11_566 ?
Sb2B Ca2 Sb3B 167.32(9) 11_566 3 ?
Sb2B Ca2 Sb4A 94.69(12) 11_566 11_566 ?
Sb2B Ca2 Sb4B 84.9(2) 11_566 11_566 ?
Sb3A Ca2 Ca2 55.511(19) 3 10_556 ?
Sb3A Ca2 Ca2 56.418(19) 11_566 10_556 ?
Sb3A Ca2 Ca5 113.12(3) 3 11_566 ?
Sb3A Ca2 Ca5 66.41(12) 11_566 11_566 ?
Sb3A Ca2 Sb2A 158.74(4) 3 11_566 ?
Sb3A Ca2 Sb2B 97.31(8) 11_566 11_566 ?
Sb3A Ca2 Sb2B 164.57(8) 3 11_566 ?
Sb3A Ca2 Sb3A 67.72(3) 3 11_566 ?
Sb3A Ca2 Sb3B 70.05(4) 11_566 3 ?
Sb3A Ca2 Sb3B 9.91(3) 11_566 11_566 ?
Sb3A Ca2 Sb3B 76.34(4) 3 11_566 ?
Sb3A Ca2 Sb3B 5.000(13) 3 3 ?
Sb3A Ca2 Sb4A 112.54(3) 11_566 11_566 ?
Sb3A Ca2 Sb4A 88.13(3) 3 11_566 ?
Sb3A Ca2 Sb4B 96.85(15) 3 11_566 ?
Sb3A Ca2 Sb4B 111.04(4) 11_566 11_566 ?
Sb3A Ca2 Sb6 94.50(3) 3 . ?
Sb3B Ca2 Ca2 56.49(3) 11_566 10_556 ?
Sb3B Ca2 Ca5 57.12(12) 11_566 11_566 ?
Sb3B Ca2 Sb2B 88.43(8) 11_566 11_566 ?
Sb3B Ca2 Sb3B 79.03(6) 11_566 3 ?
Sb3B Ca2 Sb4A 109.11(4) 11_566 11_566 ?
Sb3B Ca2 Sb4B 105.96(7) 11_566 11_566 ?
Sb4A Ca2 Ca2 58.041(16) 11_566 10_556 ?
Sb4A Ca2 Ca5 68.40(13) 11_566 11_566 ?
Sb4A Ca2 Sb3B 91.19(4) 11_566 3 ?
Sb4A Ca2 Sb4B 10.23(17) 11_566 11_566 ?
Sb4B Ca2 Sb3B 100.25(16) 11_566 3 ?
Sb6 Ca2 Ca2 142.181(17) . 10_556 ?
Sb6 Ca2 Ca5 133.21(11) . 11_566 ?
Sb6 Ca2 Sb2A 90.83(5) . 11_566 ?
Sb6 Ca2 Sb2B 89.83(12) . 11_566 ?
Sb6 Ca2 Sb3A 93.07(3) . 11_566 ?
Sb6 Ca2 Sb3B 89.98(3) . 3 ?
Sb6 Ca2 Sb3B 97.48(4) . 11_566 ?
Sb6 Ca2 Sb4A 153.10(3) . 11_566 ?
Sb6 Ca2 Sb4B 155.77(3) . 11_566 ?
Ca3B Ca3A Al1 28.34(14) . 9_565 ?
Ca3B Ca3A Al1 28.34(14) . 1_565 ?
Ca3B Ca3A Sb1 118.69(4) . 3_554 ?
Ca3B Ca3A Sb1 118.69(4) . 12_666 ?
Ca3B Ca3A Sb3A 88.09(6) . 7_565 ?
Ca3B Ca3A Sb3A 88.09(5) . 9_565 ?
Ca3B Ca3A Sb3B 77.95(5) . 9_565 ?
Ca3B Ca3A Sb3B 77.95(6) . 7_565 ?
Ca3B Ca3A Sb4A 180.0(2) . . ?
Ca3B Ca3A Sb5 35.97(2) . 1_565 ?
Ca3B Ca3A Sb5 35.97(2) . 9_565 ?
Al1 Ca3A Al1 56.7(3) 9_565 1_565 ?
Al1 Ca3A Sb1 115.00(4) 9_565 12_666 ?
Al1 Ca3A Sb1 115.00(4) 1_565 12_666 ?
Al1 Ca3A Sb1 115.00(4) 9_565 3_554 ?
Al1 Ca3A Sb1 115.00(4) 1_565 3_554 ?
Al1 Ca3A Sb5 44.58(8) 9_565 9_565 ?
Al1 Ca3A Sb5 44.58(8) 1_565 1_565 ?
Al1 Ca3A Sb5 44.58(8) 1_565 9_565 ?
Al1 Ca3A Sb5 44.58(8) 9_565 1_565 ?
Sb1 Ca3A Sb1 122.62(7) 12_666 3_554 ?
Sb1 Ca3A Sb5 154.66(6) 3_554 1_565 ?
Sb1 Ca3A Sb5 154.66(6) 12_666 9_565 ?
Sb1 Ca3A Sb5 82.719(17) 12_666 1_565 ?
Sb1 Ca3A Sb5 82.719(17) 3_554 9_565 ?
Sb3A Ca3A Al1 59.75(14) 7_565 1_565 ?
Sb3A Ca3A Al1 116.43(15) 7_565 9_565 ?
Sb3A Ca3A Al1 59.75(14) 9_565 9_565 ?
Sb3A Ca3A Al1 116.43(15) 9_565 1_565 ?
Sb3A Ca3A Sb1 90.92(2) 7_565 3_554 ?
Sb3A Ca3A Sb1 90.92(2) 9_565 3_554 ?
Sb3A Ca3A Sb1 90.92(2) 7_565 12_666 ?
Sb3A Ca3A Sb1 90.92(2) 9_565 12_666 ?
Sb3A Ca3A Sb3A 176.18(10) 7_565 9_565 ?
Sb3A Ca3A Sb3B 166.05(10) 9_565 7_565 ?
Sb3A Ca3A Sb3B 166.05(10) 7_565 9_565 ?
Sb3A Ca3A Sb3B 10.14(3) 7_565 7_565 ?
Sb3A Ca3A Sb3B 10.14(3) 9_565 9_565 ?
Sb3A Ca3A Sb4A 91.91(5) 7_565 . ?
Sb3A Ca3A Sb4A 91.91(5) 9_565 . ?
Sb3A Ca3A Sb5 88.46(4) 7_565 9_565 ?
Sb3A Ca3A Sb5 88.46(4) 9_565 1_565 ?
Sb3A Ca3A Sb5 88.46(4) 7_565 1_565 ?
Sb3A Ca3A Sb5 88.46(4) 9_565 9_565 ?
Sb3B Ca3A Al1 49.62(14) 7_565 1_565 ?
Sb3B Ca3A Al1 106.29(15) 7_565 9_565 ?
Sb3B Ca3A Al1 106.29(15) 9_565 1_565 ?
Sb3B Ca3A Al1 49.62(14) 9_565 9_565 ?
Sb3B Ca3A Sb1 95.75(2) 9_565 12_666 ?
Sb3B Ca3A Sb1 95.75(2) 7_565 12_666 ?
Sb3B Ca3A Sb1 95.75(2) 9_565 3_554 ?
Sb3B Ca3A Sb1 95.75(2) 7_565 3_554 ?
Sb3B Ca3A Sb3B 155.91(11) 7_565 9_565 ?
Sb3B Ca3A Sb4A 102.05(6) 7_565 . ?
Sb3B Ca3A Sb4A 102.05(6) 9_565 . ?
Sb3B Ca3A Sb5 80.28(5) 7_565 9_565 ?
Sb3B Ca3A Sb5 80.28(5) 7_565 1_565 ?
Sb3B Ca3A Sb5 80.28(5) 9_565 1_565 ?
Sb3B Ca3A Sb5 80.28(5) 9_565 9_565 ?
Sb4A Ca3A Al1 151.66(14) . 9_565 ?
Sb4A Ca3A Al1 151.66(14) . 1_565 ?
Sb4A Ca3A Sb1 61.31(4) . 3_554 ?
Sb4A Ca3A Sb1 61.31(4) . 12_666 ?
Sb4A Ca3A Sb5 144.03(2) . 1_565 ?
Sb4A Ca3A Sb5 144.03(2) . 9_565 ?
Sb5 Ca3A Sb5 71.94(5) 9_565 1_565 ?
Ca3A Ca3B Ca1 94.2(9) . 9_565 ?
Ca3A Ca3B Al1 145.3(7) . 1_565 ?
Ca3A Ca3B Al1 145.3(7) . 9_565 ?
Ca3A Ca3B Sb3A 79.3(11) . 9_565 ?
Ca3A Ca3B Sb3A 79.3(11) . 7_565 ?
Ca3A Ca3B Sb3B 89.7(12) . 9_565 ?
Ca3A Ca3B Sb3B 89.7(12) . 7_565 ?
Ca3A Ca3B Sb5 137.0(8) . 1_565 ?
Ca3A Ca3B Sb5 137.0(8) . 9_565 ?
Ca3A Ca3B Ca4 130.2(8) . 1_565 ?
Ca3A Ca3B Ca4 130.2(8) . 9_565 ?
Al1 Ca3B Ca1 67.9(5) 9_565 9_565 ?
Al1 Ca3B Ca1 104.9(12) 1_565 9_565 ?
Al1 Ca3B Al1 69.5(15) 9_565 1_565 ?
Al1 Ca3B Sb3A 135.5(19) 1_565 9_565 ?
Al1 Ca3B Sb3A 66.0(5) 9_565 9_565 ?
Al1 Ca3B Sb3A 135.5(19) 9_565 7_565 ?
Al1 Ca3B Sb3A 66.0(5) 1_565 7_565 ?
Al1 Ca3B Sb3B 125.1(19) 9_565 7_565 ?
Al1 Ca3B Sb3B 125.1(19) 1_565 9_565 ?
Al1 Ca3B Sb3B 55.6(5) 1_565 7_565 ?
Al1 Ca3B Sb3B 55.6(5) 9_565 9_565 ?
Al1 Ca3B Sb5 53.1(9) 1_565 1_565 ?
Al1 Ca3B Sb5 53.1(9) 9_565 1_565 ?
Al1 Ca3B Sb5 53.1(9) 1_565 9_565 ?
Al1 Ca3B Sb5 53.1(9) 9_565 9_565 ?
Al1 Ca3B Ca4 15.01(16) 9_565 9_565 ?
Al1 Ca3B Ca4 15.01(16) 1_565 1_565 ?
Al1 Ca3B Ca4 84.5(15) 1_565 9_565 ?
Al1 Ca3B Ca4 84.5(15) 9_565 1_565 ?
Sb3A Ca3B Ca1 57.873(16) 9_565 9_565 ?
Sb3A Ca3B Ca1 124.0(2) 7_565 9_565 ?
Sb3A Ca3B Sb3A 159(2) 7_565 9_565 ?
Sb3A Ca3B Sb3B 10.42(4) 9_565 9_565 ?
Sb3A Ca3B Sb3B 169(2) 9_565 7_565 ?
Sb3A Ca3B Sb3B 169(2) 7_565 9_565 ?
Sb3A Ca3B Sb3B 10.42(4) 7_565 7_565 ?
Sb3A Ca3B Sb5 97.8(7) 9_565 1_565 ?
Sb3A Ca3B Sb5 97.8(7) 7_565 9_565 ?
Sb3A Ca3B Sb5 97.8(7) 9_565 9_565 ?
Sb3A Ca3B Sb5 97.8(7) 7_565 1_565 ?
Sb3A Ca3B Ca4 51.0(4) 7_565 1_565 ?
Sb3A Ca3B Ca4 51.0(4) 9_565 9_565 ?
Sb3A Ca3B Ca4 150.5(19) 7_565 9_565 ?
Sb3A Ca3B Ca4 150.5(19) 9_565 1_565 ?
Sb3B Ca3B Ca1 56.32(6) 9_565 9_565 ?
Sb3B Ca3B Ca1 123.74(14) 7_565 9_565 ?
Sb3B Ca3B Sb3B 179(2) 9_565 7_565 ?
Sb3B Ca3B Sb5 90.2(9) 9_565 1_565 ?
Sb3B Ca3B Sb5 90.2(8) 7_565 1_565 ?
Sb3B Ca3B Sb5 90.2(8) 7_565 9_565 ?
Sb3B Ca3B Sb5 90.2(8) 9_565 9_565 ?
Sb3B Ca3B Ca4 40.6(4) 9_565 9_565 ?
Sb3B Ca3B Ca4 40.6(4) 7_565 1_565 ?
Sb3B Ca3B Ca4 140.1(19) 9_565 1_565 ?
Sb3B Ca3B Ca4 140.1(19) 7_565 9_565 ?
Sb5 Ca3B Ca1 51.8(3) 9_565 9_565 ?
Sb5 Ca3B Ca1 120.8(14) 1_565 9_565 ?
Sb5 Ca3B Sb5 86.1(15) 9_565 1_565 ?
Sb5 Ca3B Ca4 61.8(9) 9_565 9_565 ?
Sb5 Ca3B Ca4 61.8(9) 1_565 1_565 ?
Sb5 Ca3B Ca4 61.8(9) 9_565 1_565 ?
Sb5 Ca3B Ca4 61.8(9) 1_565 9_565 ?
Ca4 Ca3B Ca1 61.9(4) 9_565 9_565 ?
Ca4 Ca3B Ca1 112.1(10) 1_565 9_565 ?
Ca4 Ca3B Ca4 99.5(15) 9_565 1_565 ?
Ca2 Ca5 Ca2 164.9(3) 6 3_554 ?
Ca2 Ca5 Ca2 61.82(4) 12_666 3_554 ?
Ca2 Ca5 Ca2 164.9(3) 12_666 13_665 ?
Ca2 Ca5 Ca2 115.95(6) 13_665 3_554 ?
Ca2 Ca5 Ca2 61.82(4) 6 13_665 ?
Ca2 Ca5 Ca2 115.95(6) 6 12_666 ?
Ca2 Ca5 Sb4B 61.62(17) 6 9_665 ?
Ca2 Ca5 Sb4B 103.7(2) 3_554 9_665 ?
Ca2 Ca5 Sb4B 103.7(2) 12_666 9_665 ?
Ca2 Ca5 Sb4B 61.62(17) 13_665 9_665 ?
Sb2A Ca5 Ca2 121.29(3) 10 12_666 ?
Sb2A Ca5 Ca2 121.29(3) . 13_665 ?
Sb2A Ca5 Ca2 121.29(3) . 3_554 ?
Sb2A Ca5 Ca2 59.55(2) . 6 ?
Sb2A Ca5 Ca2 121.29(3) 10 6 ?
Sb2A Ca5 Ca2 59.55(2) . 12_666 ?
Sb2A Ca5 Ca2 59.55(2) 10 13_665 ?
Sb2A Ca5 Ca2 59.55(2) 10 3_554 ?
Sb2A Ca5 Sb2A 174.5(3) . 10 ?
Sb2A Ca5 Sb2B 179.3(3) . 10 ?
Sb2A Ca5 Sb2B 4.84(14) 10 10 ?
Sb2A Ca5 Sb2B 179.3(3) 10 . ?
Sb2A Ca5 Sb2B 4.84(14) . . ?
Sb2A Ca5 Sb3B 88.13(12) 10 . ?
Sb2A Ca5 Sb3B 88.13(12) . 7 ?
Sb2A Ca5 Sb3B 88.13(12) . . ?
Sb2A Ca5 Sb3B 88.13(12) 10 7 ?
Sb2A Ca5 Sb4B 92.50(15) 10 9_665 ?
Sb2A Ca5 Sb4B 92.50(15) . 9_665 ?
Sb2B Ca5 Ca2 58.79(3) 10 3_554 ?
Sb2B Ca5 Ca2 120.57(5) . 3_554 ?
Sb2B Ca5 Ca2 58.79(3) . 12_666 ?
Sb2B Ca5 Ca2 58.79(3) 10 13_665 ?
Sb2B Ca5 Ca2 58.79(3) . 6 ?
Sb2B Ca5 Ca2 120.57(5) 10 6 ?
Sb2B Ca5 Ca2 120.57(5) . 13_665 ?
Sb2B Ca5 Ca2 120.57(5) 10 12_666 ?
Sb2B Ca5 Sb2B 175.8(4) 10 . ?
Sb2B Ca5 Sb3B 91.41(12) 10 7 ?
Sb2B Ca5 Sb3B 91.41(12) . . ?
Sb2B Ca5 Sb3B 91.41(12) . 7 ?
Sb2B Ca5 Sb3B 91.41(12) 10 . ?
Sb2B Ca5 Sb4B 88.11(17) . 9_665 ?
Sb2B Ca5 Sb4B 88.11(17) 10 9_665 ?
Sb3B Ca5 Ca2 57.65(5) 7 6 ?
Sb3B Ca5 Ca2 135.49(18) . 13_665 ?
Sb3B Ca5 Ca2 57.65(5) . 3_554 ?
Sb3B Ca5 Ca2 57.65(5) 7 13_665 ?
Sb3B Ca5 Ca2 135.49(18) . 6 ?
Sb3B Ca5 Ca2 135.49(18) 7 12_666 ?
Sb3B Ca5 Ca2 57.65(5) . 12_666 ?
Sb3B Ca5 Ca2 135.49(18) 7 3_554 ?
Sb3B Ca5 Sb3B 94.8(2) . 7 ?
Sb3B Ca5 Sb4B 107.77(19) 7 9_665 ?
Sb3B Ca5 Sb4B 157.4(2) . 9_665 ?
Ca4 Ca5 Ca2 97.56(13) . 12_666 ?
Ca4 Ca5 Ca2 97.56(13) . 3_554 ?
Ca4 Ca5 Ca2 97.56(13) . 6 ?
Ca4 Ca5 Ca2 97.56(13) . 13_665 ?
Ca4 Ca5 Sb2A 87.24(17) . . ?
Ca4 Ca5 Sb2A 87.24(17) . 10 ?
Ca4 Ca5 Sb2B 92.09(18) . . ?
Ca4 Ca5 Sb2B 92.09(18) . 10 ?
Ca4 Ca5 Sb3B 47.40(11) . . ?
Ca4 Ca5 Sb3B 47.40(11) . 7 ?
Ca4 Ca5 Sb4B 155.17(19) . 9_665 ?
Ca5 Ca6A Ca5 106.10(17) 3_545 11_566 ?
Sb1 Ca6A Ca5 96.59(3) 2 11_566 ?
Sb1 Ca6A Ca5 96.59(3) . 11_566 ?
Sb1 Ca6A Ca5 96.59(3) . 3_545 ?
Sb1 Ca6A Ca5 96.59(3) 2 3_545 ?
Sb1 Ca6A Sb1 157.98(12) . 2 ?
Sb2A Ca6A Ca5 150.96(14) 11_566 3_545 ?
Sb2A Ca6A Ca5 44.85(8) 11_566 11_566 ?
Sb2A Ca6A Ca5 150.96(14) 12_656 11_566 ?
Sb2A Ca6A Ca5 44.85(8) 12_656 3_545 ?
Sb2A Ca6A Sb1 88.49(2) 12_656 2 ?
Sb2A Ca6A Sb1 88.49(2) 11_566 2 ?
Sb2A Ca6A Sb1 88.49(2) 11_566 . ?
Sb2A Ca6A Sb1 88.49(2) 12_656 . ?
Sb2A Ca6A Sb2A 164.19(16) 12_656 11_566 ?
Sb2B Ca6A Ca5 155.49(17) 12_656 11_566 ?
Sb2B Ca6A Ca5 155.49(17) 11_566 3_545 ?
Sb2B Ca6A Ca5 49.39(13) 11_566 11_566 ?
Sb2B Ca6A Ca5 49.39(13) 12_656 3_545 ?
Sb2B Ca6A Sb1 87.64(3) 12_656 . ?
Sb2B Ca6A Sb1 87.64(3) 11_566 . ?
Sb2B Ca6A Sb1 87.64(3) 12_656 2 ?
Sb2B Ca6A Sb1 87.64(3) 11_566 2 ?
Sb2B Ca6A Sb2A 159.65(15) 11_566 12_656 ?
Sb2B Ca6A Sb2A 159.65(15) 12_656 11_566 ?
Sb2B Ca6A Sb2A 4.53(14) 11_566 11_566 ?
Sb2B Ca6A Sb2A 4.53(14) 12_656 12_656 ?
Sb2B Ca6A Sb2B 155.1(2) 12_656 11_566 ?
Sb2B Ca6A Sb4A 99.27(9) 12_656 3_545 ?
Sb2B Ca6A Sb4A 99.27(9) 11_566 3_545 ?
Sb2B Ca6A Sb4A 99.27(9) 12_656 11_566 ?
Sb2B Ca6A Sb4A 99.27(9) 11_566 11_566 ?
Sb4A Ca6A Ca5 63.29(7) 3_545 3_545 ?
Sb4A Ca6A Ca5 63.29(7) 3_545 11_566 ?
Sb4A Ca6A Ca5 63.29(7) 11_566 3_545 ?
Sb4A Ca6A Ca5 63.29(7) 11_566 11_566 ?
Sb4A Ca6A Sb1 142.61(11) 11_566 2 ?
Sb4A Ca6A Sb1 59.415(18) 11_566 . ?
Sb4A Ca6A Sb1 142.61(11) 3_545 . ?
Sb4A Ca6A Sb1 59.415(18) 3_545 2 ?
Sb4A Ca6A Sb2A 95.90(5) 11_566 12_656 ?
Sb4A Ca6A Sb2A 95.90(5) 11_566 11_566 ?
Sb4A Ca6A Sb2A 95.90(5) 3_545 11_566 ?
Sb4A Ca6A Sb2A 95.90(5) 3_545 12_656 ?
Sb4A Ca6A Sb4A 83.19(10) 11_566 3_545 ?
Sb4B Ca6A Ca5 59.20(11) 11_566 11_566 ?
Sb4B Ca6A Ca5 59.20(11) 11_566 3_545 ?
Sb4B Ca6A Ca5 59.20(11) 3_545 11_566 ?
Sb4B Ca6A Ca5 59.20(11) 3_545 3_545 ?
Sb4B Ca6A Sb1 132.6(2) 11_566 2 ?
Sb4B Ca6A Sb1 132.6(2) 3_545 . ?
Sb4B Ca6A Sb1 69.4(2) 3_545 2 ?
Sb4B Ca6A Sb1 69.4(2) 11_566 . ?
Sb4B Ca6A Sb2A 96.73(7) 11_566 11_566 ?
Sb4B Ca6A Sb2A 96.73(7) 3_545 11_566 ?
Sb4B Ca6A Sb2A 96.73(7) 11_566 12_656 ?
Sb4B Ca6A Sb2A 96.73(7) 3_545 12_656 ?
Sb4B Ca6A Sb2B 100.57(10) 3_545 11_566 ?
Sb4B Ca6A Sb2B 100.57(10) 11_566 12_656 ?
Sb4B Ca6A Sb2B 100.57(10) 3_545 12_656 ?
Sb4B Ca6A Sb2B 100.57(10) 11_566 11_566 ?
Sb4B Ca6A Sb4A 10.0(2) 11_566 11_566 ?
Sb4B Ca6A Sb4A 73.2(2) 11_566 3_545 ?
Sb4B Ca6A Sb4A 10.0(2) 3_545 3_545 ?
Sb4B Ca6A Sb4A 73.2(2) 3_545 11_566 ?
Sb4B Ca6A Sb4B 63.2(4) 11_566 3_545 ?
Sb1 Ca6B Ca1 119.2(3) . 2 ?
Sb1 Ca6B Ca1 52.36(8) 2 2 ?
Sb1 Ca6B Sb1 169.1(4) . 2 ?
Sb2A Ca6B Ca1 120.2(3) 11_566 2 ?
Sb2A Ca6B Ca1 57.33(10) 12_656 2 ?
Sb2A Ca6B Sb1 89.85(3) 11_566 2 ?
Sb2A Ca6B Sb1 89.85(3) 12_656 . ?
Sb2A Ca6B Sb1 89.85(3) 12_656 2 ?
Sb2A Ca6B Sb1 89.85(3) 11_566 . ?
Sb2A Ca6B Sb2A 176.8(5) 12_656 11_566 ?
Sb2A Ca6B Sb4A 91.29(18) 12_656 11_566 ?
Sb2A Ca6B Sb4A 91.29(18) 12_656 3_545 ?
Sb2A Ca6B Sb4A 91.29(18) 11_566 3_545 ?
Sb2A Ca6B Sb4A 91.29(18) 11_566 11_566 ?
Sb2A Ca6B Sb5 88.4(2) 12_656 . ?
Sb2A Ca6B Sb5 88.4(2) 11_566 . ?
Sb2B Ca6B Ca1 117.0(3) 11_566 2 ?
Sb2B Ca6B Ca1 54.24(14) 12_656 2 ?
Sb2B Ca6B Sb1 89.45(4) 12_656 2 ?
Sb2B Ca6B Sb1 89.45(4) 11_566 2 ?
Sb2B Ca6B Sb1 89.45(4) 12_656 . ?
Sb2B Ca6B Sb1 89.45(4) 11_566 . ?
Sb2B Ca6B Sb2A 172.6(5) 11_566 12_656 ?
Sb2B Ca6B Sb2A 4.15(15) 11_566 11_566 ?
Sb2B Ca6B Sb2A 4.15(15) 12_656 12_656 ?
Sb2B Ca6B Sb2A 172.6(5) 12_656 11_566 ?
Sb2B Ca6B Sb2B 168.5(5) 12_656 11_566 ?
Sb2B Ca6B Sb4A 94.6(2) 11_566 11_566 ?
Sb2B Ca6B Sb4A 94.6(2) 12_656 11_566 ?
Sb2B Ca6B Sb4A 94.6(2) 12_656 3_545 ?
Sb2B Ca6B Sb4A 94.6(2) 11_566 3_545 ?
Sb2B Ca6B Sb4B 95.1(2) 11_566 11_566 ?
Sb2B Ca6B Sb4B 95.1(2) 11_566 3_545 ?
Sb2B Ca6B Sb4B 95.1(2) 12_656 11_566 ?
Sb2B Ca6B Sb4B 95.1(2) 12_656 3_545 ?
Sb2B Ca6B Sb5 84.2(3) 11_566 . ?
Sb2B Ca6B Sb5 84.2(3) 12_656 . ?
Sb4A Ca6B Ca1 148.46(10) 11_566 2 ?
Sb4A Ca6B Ca1 100.34(3) 3_545 2 ?
Sb4A Ca6B Sb1 133.0(3) 11_566 2 ?
Sb4A Ca6B Sb1 133.0(3) 3_545 . ?
Sb4A Ca6B Sb1 57.85(7) 3_545 2 ?
Sb4A Ca6B Sb1 57.85(7) 11_566 . ?
Sb4A Ca6B Sb4A 75.2(3) 11_566 3_545 ?
Sb4A Ca6B Sb5 142.41(13) 11_566 . ?
Sb4A Ca6B Sb5 142.41(13) 3_545 . ?
Sb4B Ca6B Ca1 108.35(17) 3_545 2 ?
Sb4B Ca6B Ca1 146.50(17) 11_566 2 ?
Sb4B Ca6B Sb1 67.4(2) 3_545 2 ?
Sb4B Ca6B Sb1 123.5(4) 3_545 . ?
Sb4B Ca6B Sb1 123.5(4) 11_566 2 ?
Sb4B Ca6B Sb1 67.4(2) 11_566 . ?
Sb4B Ca6B Sb2A 91.4(2) 3_545 12_656 ?
Sb4B Ca6B Sb2A 91.4(2) 11_566 12_656 ?
Sb4B Ca6B Sb2A 91.4(2) 3_545 11_566 ?
Sb4B Ca6B Sb2A 91.4(2) 11_566 11_566 ?
Sb4B Ca6B Sb4A 65.7(3) 11_566 3_545 ?
Sb4B Ca6B Sb4A 65.7(3) 3_545 11_566 ?
Sb4B Ca6B Sb4A 9.51(19) 3_545 3_545 ?
Sb4B Ca6B Sb4A 9.51(19) 11_566 11_566 ?
Sb4B Ca6B Sb4B 56.1(5) 11_566 3_545 ?
Sb4B Ca6B Sb5 151.9(2) 11_566 . ?
Sb4B Ca6B Sb5 151.9(2) 3_545 . ?
Sb5 Ca6B Ca1 49.39(15) . 2 ?
Sb5 Ca6B Sb1 84.6(2) . . ?
Sb5 Ca6B Sb1 84.6(2) . 2 ?
Ca3A Al1 Ca3A 123.3(3) 9_565 1_545 ?
Ca3A Al1 Ca5 118.34(14) 1_545 . ?
Ca3A Al1 Ca5 118.34(14) 9_565 . ?
Ca3B Al1 Ca3A 6.4(7) 1_545 1_545 ?
Ca3B Al1 Ca3A 6.4(7) 9_565 9_565 ?
Ca3B Al1 Ca3A 116.9(8) 1_545 9_565 ?
Ca3B Al1 Ca3A 116.9(8) 9_565 1_545 ?
Ca3B Al1 Ca3B 110.5(15) 9_565 1_545 ?
Ca3B Al1 Ca5 124.7(7) 9_565 . ?
Ca3B Al1 Ca5 124.7(7) 1_545 . ?
Sb3B Al1 Ca3A 59.74(5) . 9_565 ?
Sb3B Al1 Ca3A 59.74(5) 7 1_545 ?
Sb3B Al1 Ca3A 176.9(3) . 1_545 ?
Sb3B Al1 Ca3A 176.9(3) 7 9_565 ?
Sb3B Al1 Ca3B 176.7(8) . 1_545 ?
Sb3B Al1 Ca3B 66.1(7) 7 1_545 ?
Sb3B Al1 Ca3B 66.1(7) . 9_565 ?
Sb3B Al1 Ca3B 176.7(8) 7 9_565 ?
Sb3B Al1 Ca5 58.60(17) 7 . ?
Sb3B Al1 Ca5 58.60(17) . . ?
Sb3B Al1 Sb3B 117.2(3) 7 . ?
Sb5 Al1 Ca3A 73.55(14) 9 1_545 ?
Sb5 Al1 Ca3A 73.56(14) . 9_565 ?
Sb5 Al1 Ca3A 73.55(14) 9 9_565 ?
Sb5 Al1 Ca3A 73.56(14) . 1_545 ?
Sb5 Al1 Ca3B 70.1(4) . 9_565 ?
Sb5 Al1 Ca3B 70.1(4) 9 9_565 ?
Sb5 Al1 Ca3B 70.1(4) 9 1_545 ?
Sb5 Al1 Ca3B 70.1(4) . 1_545 ?
Sb5 Al1 Ca5 126.61(16) 9 . ?
Sb5 Al1 Ca5 126.61(16) . . ?
Sb5 Al1 Sb3B 108.10(3) . 7 ?
Sb5 Al1 Sb3B 108.10(3) 9 7 ?
Sb5 Al1 Sb3B 108.10(3) 9 . ?
Sb5 Al1 Sb3B 108.10(3) . . ?
Sb5 Al1 Sb5 106.8(3) 9 . ?
Ca4 Al1 Ca3A 118.34(14) . 1_545 ?
Ca4 Al1 Ca3A 118.34(14) . 9_565 ?
Ca4 Al1 Ca3B 124.7(7) . 9_565 ?
Ca4 Al1 Ca3B 124.7(7) . 1_545 ?
Ca4 Al1 Ca5 0.0(4) . . ?
Ca4 Al1 Sb3B 58.60(17) . 7 ?
Ca4 Al1 Sb3B 58.60(17) . . ?
Ca4 Al1 Sb5 126.61(16) . . ?
Ca4 Al1 Sb5 126.61(16) . 9 ?
Ca1 Sb1 Ca1 78.44(3) 12_666 6 ?
Ca1 Sb1 Ca1 135.142(19) 16 12_666 ?
Ca1 Sb1 Ca1 135.142(19) . 6 ?
Ca1 Sb1 Ca1 86.60(3) . 12_666 ?
Ca1 Sb1 Ca1 86.60(3) 16 6 ?
Ca1 Sb1 Ca1 74.80(3) 16 . ?
Ca1 Sb1 Ca3A 142.204(18) . 11_566 ?
Ca1 Sb1 Ca3A 70.18(3) 12_666 11_566 ?
Ca1 Sb1 Ca3A 70.18(3) 6 11_566 ?
Ca1 Sb1 Ca3A 142.204(18) 16 11_566 ?
Ca1 Sb1 Ca6A 71.47(5) . . ?
Ca1 Sb1 Ca6A 140.06(2) 6 . ?
Ca1 Sb1 Ca6A 71.47(5) 16 . ?
Ca1 Sb1 Ca6A 140.06(2) 12_666 . ?
Ca1 Sb1 Ca6B 67.23(15) . . ?
Ca1 Sb1 Ca6B 140.70(2) 12_666 . ?
Ca1 Sb1 Ca6B 140.70(2) 6 . ?
Ca1 Sb1 Ca6B 67.23(15) 16 . ?
Ca2 Sb1 Ca1 69.77(2) . 12_666 ?
Ca2 Sb1 Ca1 134.26(3) . 16 ?
Ca2 Sb1 Ca1 68.92(2) 16 16 ?
Ca2 Sb1 Ca1 69.77(2) 16 6 ?
Ca2 Sb1 Ca1 139.05(3) 16 12_666 ?
Ca2 Sb1 Ca1 139.05(3) . 6 ?
Ca2 Sb1 Ca1 68.92(2) . . ?
Ca2 Sb1 Ca1 134.26(3) 16 . ?
Ca2 Sb1 Ca2 121.07(4) 16 . ?
Ca2 Sb1 Ca3A 75.09(2) 16 11_566 ?
Ca2 Sb1 Ca3A 75.09(2) . 11_566 ?
Ca2 Sb1 Ca6A 71.26(3) . . ?
Ca2 Sb1 Ca6A 71.26(3) 16 . ?
Ca2 Sb1 Ca6B 73.53(9) . . ?
Ca2 Sb1 Ca6B 73.53(9) 16 . ?
Ca3A Sb1 Ca6A 107.68(7) 11_566 . ?
Ca3A Sb1 Ca6B 113.3(2) 11_566 . ?
Ca6B Sb1 Ca6A 5.6(2) . . ?
Sb2A Sb1 Ca1 66.57(3) . 6 ?
Sb2A Sb1 Ca1 66.57(3) . 12_666 ?
Sb2A Sb1 Ca1 68.66(3) . 16 ?
Sb2A Sb1 Ca1 68.66(3) . . ?
Sb2A Sb1 Ca2 119.451(19) . 16 ?
Sb2A Sb1 Ca2 119.451(19) . . ?
Sb2A Sb1 Ca3A 123.17(5) . 11_566 ?
Sb2A Sb1 Ca6A 129.15(7) . . ?
Sb2A Sb1 Ca6B 123.6(2) . . ?
Sb2B Sb1 Ca1 73.56(7) . . ?
Sb2B Sb1 Ca1 73.56(7) . 16 ?
Sb2B Sb1 Ca1 62.01(6) . 6 ?
Sb2B Sb1 Ca1 62.01(6) . 12_666 ?
Sb2B Sb1 Ca2 119.351(19) . . ?
Sb2B Sb1 Ca2 119.352(19) . 16 ?
Sb2B Sb1 Ca3A 116.77(9) . 11_566 ?
Sb2B Sb1 Ca6A 135.55(10) . . ?
Sb2B Sb1 Ca6B 130.0(2) . . ?
Sb2B Sb1 Sb2A 6.40(11) . . ?
Ca1 Sb2A Ca1 76.07(5) 12_666 6 ?
Ca1 Sb2A Ca1 82.21(5) 6 16 ?
Ca1 Sb2A Ca1 82.21(5) 12_666 . ?
Ca1 Sb2A Ca1 124.77(9) 6 . ?
Ca1 Sb2A Ca1 124.77(9) 12_666 16 ?
Ca1 Sb2A Ca1 69.89(5) 16 . ?
Ca1 Sb2A Ca4 140.42(3) 6 . ?
Ca1 Sb2A Ca4 64.57(6) 16 . ?
Ca1 Sb2A Ca4 64.57(6) . . ?
Ca1 Sb2A Ca4 140.42(3) 12_666 . ?
Ca2 Sb2A Ca1 137.65(5) 6 12_666 ?
Ca2 Sb2A Ca1 66.62(3) 6 6 ?
Ca2 Sb2A Ca1 66.62(3) 12_666 12_666 ?
Ca2 Sb2A Ca1 135.72(5) 6 . ?
Ca2 Sb2A Ca1 70.12(3) 12_666 . ?
Ca2 Sb2A Ca1 137.65(5) 12_666 6 ?
Ca2 Sb2A Ca1 70.12(3) 6 16 ?
Ca2 Sb2A Ca1 135.72(5) 12_666 16 ?
Ca2 Sb2A Ca2 134.37(10) 6 12_666 ?
Ca2 Sb2A Ca6A 76.63(6) 12_666 11_666 ?
Ca2 Sb2A Ca6A 76.63(6) 6 11_666 ?
Ca2 Sb2A Ca6B 78.71(9) 6 11_666 ?
Ca2 Sb2A Ca6B 78.71(9) 12_666 11_666 ?
Ca2 Sb2A Ca4 81.59(4) 6 . ?
Ca2 Sb2A Ca4 81.59(4) 12_666 . ?
Ca5 Sb2A Ca1 133.03(11) . 6 ?
Ca5 Sb2A Ca1 98.42(14) . 16 ?
Ca5 Sb2A Ca1 133.03(11) . 12_666 ?
Ca5 Sb2A Ca1 98.42(14) . . ?
Ca5 Sb2A Ca2 69.60(6) . 12_666 ?
Ca5 Sb2A Ca2 69.60(6) . 6 ?
Ca5 Sb2A Ca6A 79.34(19) . 11_666 ?
Ca5 Sb2A Ca6B 85.6(3) . 11_666 ?
Ca5 Sb2A Sb1 154.62(17) . . ?
Ca5 Sb2A Ca4 41.87(18) . . ?
Ca6A Sb2A Ca1 145.05(3) 11_666 16 ?
Ca6A Sb2A Ca1 74.91(6) 11_666 6 ?
Ca6A Sb2A Ca1 145.05(3) 11_666 . ?
Ca6A Sb2A Ca1 74.91(6) 11_666 12_666 ?
Ca6A Sb2A Ca4 121.21(13) 11_666 . ?
Ca6B Sb2A Ca1 70.11(17) 11_666 6 ?
Ca6B Sb2A Ca1 144.62(4) 11_666 16 ?
Ca6B Sb2A Ca1 70.11(17) 11_666 12_666 ?
Ca6B Sb2A Ca1 144.62(4) 11_666 . ?
Ca6B Sb2A Ca6A 6.3(3) 11_666 11_666 ?
Ca6B Sb2A Ca4 127.5(3) 11_666 . ?
Sb1 Sb2A Ca1 63.39(4) . 12_666 ?
Sb1 Sb2A Ca1 63.39(4) . 6 ?
Sb1 Sb2A Ca1 61.45(5) . 16 ?
Sb1 Sb2A Ca1 61.45(5) . . ?
Sb1 Sb2A Ca2 112.81(5) . 12_666 ?
Sb1 Sb2A Ca2 112.81(5) . 6 ?
Sb1 Sb2A Ca6A 126.04(8) . 11_666 ?
Sb1 Sb2A Ca6B 119.8(2) . 11_666 ?
Sb1 Sb2A Ca4 112.75(9) . . ?
Ca1 Sb2B Ca1 82.53(10) 6 16 ?
Ca1 Sb2B Ca1 126.0(2) 12_666 16 ?
Ca1 Sb2B Ca1 82.58(12) 12_666 6 ?
Ca1 Sb2B Ca1 65.91(10) 16 . ?
Ca1 Sb2B Ca1 126.0(2) 6 . ?
Ca1 Sb2B Ca1 82.53(10) 12_666 . ?
Ca2 Sb2B Ca1 147.42(13) 6 12_666 ?
Ca2 Sb2B Ca1 126.99(12) 12_666 16 ?
Ca2 Sb2B Ca1 147.42(13) 12_666 6 ?
Ca2 Sb2B Ca1 67.20(5) 12_666 . ?
Ca2 Sb2B Ca1 69.06(4) 6 6 ?
Ca2 Sb2B Ca1 126.99(12) 6 . ?
Ca2 Sb2B Ca1 69.06(4) 12_666 12_666 ?
Ca2 Sb2B Ca1 67.20(5) 6 16 ?
Ca2 Sb2B Ca2 130.8(2) 6 12_666 ?
Ca5 Sb2B Ca1 134.05(14) . 12_666 ?
Ca5 Sb2B Ca1 90.81(16) . 16 ?
Ca5 Sb2B Ca1 134.05(14) . 6 ?
Ca5 Sb2B Ca1 90.81(16) . . ?
Ca5 Sb2B Ca2 66.52(11) . 6 ?
Ca5 Sb2B Ca2 66.52(11) . 12_666 ?
Ca5 Sb2B Ca6A 79.6(2) . 11_666 ?
Ca5 Sb2B Ca6B 86.3(3) . 11_666 ?
Ca6A Sb2B Ca1 81.07(11) 11_666 6 ?
Ca6A Sb2B Ca1 145.88(8) 11_666 . ?
Ca6A Sb2B Ca1 145.88(8) 11_666 16 ?
Ca6A Sb2B Ca1 81.07(11) 11_666 12_666 ?
Ca6A Sb2B Ca2 79.02(13) 11_666 6 ?
Ca6A Sb2B Ca2 79.02(13) 11_666 12_666 ?
Ca6B Sb2B Ca1 76.1(2) 11_666 12_666 ?
Ca6B Sb2B Ca1 76.1(2) 11_666 6 ?
Ca6B Sb2B Ca1 146.94(6) 11_666 . ?
Ca6B Sb2B Ca1 146.94(6) 11_666 16 ?
Ca6B Sb2B Ca2 81.59(16) 11_666 6 ?
Ca6B Sb2B Ca2 81.59(16) 11_666 12_666 ?
Ca6B Sb2B Ca6A 6.7(3) 11_666 11_666 ?
Sb1 Sb2B Ca1 67.16(12) . 6 ?
Sb1 Sb2B Ca1 59.21(10) . 16 ?
Sb1 Sb2B Ca1 67.16(12) . 12_666 ?
Sb1 Sb2B Ca1 59.21(10) . . ?
Sb1 Sb2B Ca2 113.07(12) . 6 ?
Sb1 Sb2B Ca2 113.07(12) . 12_666 ?
Sb1 Sb2B Ca5 143.4(2) . . ?
Sb1 Sb2B Ca6A 136.98(17) . 11_666 ?
Sb1 Sb2B Ca6B 130.3(3) . 11_666 ?
Ca1 Sb3A Ca1 139.67(4) . 10 ?
Ca1 Sb3A Ca5 87.13(4) 10 . ?
Ca1 Sb3A Ca5 87.13(4) . . ?
Ca2 Sb3A Ca1 69.51(2) 4_454 10 ?
Ca2 Sb3A Ca1 136.18(3) 12_666 10 ?
Ca2 Sb3A Ca1 136.18(3) 3_554 . ?
Ca2 Sb3A Ca1 135.48(3) 4_454 . ?
Ca2 Sb3A Ca1 71.53(2) 12_666 . ?
Ca2 Sb3A Ca1 71.53(2) 3_554 10 ?
Ca2 Sb3A Ca1 135.48(3) 11_566 10 ?
Ca2 Sb3A Ca1 69.51(2) 11_566 . ?
Ca2 Sb3A Ca2 68.98(4) 4_454 11_566 ?
Ca2 Sb3A Ca2 67.16(4) 12_666 3_554 ?
Ca2 Sb3A Ca2 112.28(3) 4_454 12_666 ?
Ca2 Sb3A Ca2 112.28(3) 11_566 3_554 ?
Ca2 Sb3A Ca2 75.69(3) 4_454 3_554 ?
Ca2 Sb3A Ca2 75.69(3) 11_566 12_666 ?
Ca2 Sb3A Ca5 134.75(7) 4_454 . ?
Ca2 Sb3A Ca5 60.03(8) 12_666 . ?
Ca2 Sb3A Ca5 134.75(7) 11_566 . ?
Ca2 Sb3A Ca5 60.03(8) 3_554 . ?
Ca3A Sb3A Ca1 76.57(3) 9_565 10 ?
Ca3A Sb3A Ca1 76.57(3) 9_565 . ?
Ca3A Sb3A Ca2 83.45(5) 9_565 4_454 ?
Ca3A Sb3A Ca2 146.340(19) 9_565 3_554 ?
Ca3A Sb3A Ca2 146.340(19) 9_565 12_666 ?
Ca3A Sb3A Ca2 83.45(5) 9_565 11_566 ?
Ca3A Sb3A Ca3B 12.6(11) 9_565 9_565 ?
Ca3A Sb3A Ca5 129.28(11) 9_565 . ?
Ca3B Sb3A Ca1 73.6(2) 9_565 . ?
Ca3B Sb3A Ca1 73.6(2) 9_565 10 ?
Ca3B Sb3A Ca2 145.1(3) 9_565 12_666 ?
Ca3B Sb3A Ca2 93.9(9) 9_565 11_566 ?
Ca3B Sb3A Ca2 145.1(3) 9_565 3_554 ?
Ca3B Sb3A Ca2 93.9(9) 9_565 4_454 ?
Ca3B Sb3A Ca5 116.6(12) 9_565 . ?
Sb3B Sb3A Ca1 77.20(8) . 10 ?
Sb3B Sb3A Ca1 77.20(8) . . ?
Sb3B Sb3A Ca2 145.51(2) . 11_566 ?
Sb3B Sb3A Ca2 85.7(3) . 3_554 ?
Sb3B Sb3A Ca2 85.7(3) . 12_666 ?
Sb3B Sb3A Ca2 145.51(2) . 4_454 ?
Sb3B Sb3A Ca3A 97.6(3) . 9_565 ?
Sb3B Sb3A Ca3B 85.0(12) . 9_565 ?
Sb3B Sb3A Ca5 31.6(3) . . ?
Sb3B Sb3A Ca4 10.5(3) . . ?
Ca4 Sb3A Ca1 74.58(3) . . ?
Ca4 Sb3A Ca1 74.58(3) . 10 ?
Ca4 Sb3A Ca2 94.39(10) . 12_666 ?
Ca4 Sb3A Ca2 94.39(10) . 3_554 ?
Ca4 Sb3A Ca2 144.06(4) . 11_566 ?
Ca4 Sb3A Ca2 144.06(4) . 4_454 ?
Ca4 Sb3A Ca3A 87.17(12) . 9_565 ?
Ca4 Sb3A Ca3B 74.5(12) . 9_565 ?
Ca4 Sb3A Ca5 42.12(15) . . ?
Ca1 Sb3B Ca1 147.79(8) . 10 ?
Ca1 Sb3B Ca2 65.18(3) 10 4_454 ?
Ca1 Sb3B Ca2 121.74(5) 10 11_566 ?
Ca1 Sb3B Ca2 121.74(5) . 4_454 ?
Ca1 Sb3B Ca2 65.18(3) . 11_566 ?
Ca2 Sb3B Ca1 139.49(6) 3_554 . ?
Ca2 Sb3B Ca1 72.51(3) 3_554 10 ?
Ca2 Sb3B Ca1 139.49(6) 12_666 10 ?
Ca2 Sb3B Ca1 72.51(3) 12_666 . ?
Ca2 Sb3B Ca2 100.97(5) 12_666 4_454 ?
Ca2 Sb3B Ca2 67.02(6) 12_666 3_554 ?
Ca2 Sb3B Ca2 100.97(5) 3_554 11_566 ?
Ca2 Sb3B Ca2 58.98(4) 4_454 11_566 ?
Ca2 Sb3B Ca2 69.32(4) 3_554 4_454 ?
Ca2 Sb3B Ca2 69.32(4) 12_666 11_566 ?
Ca3A Sb3B Ca1 76.21(4) 9_565 10 ?
Ca3A Sb3B Ca1 76.21(4) 9_565 . ?
Ca3A Sb3B Ca2 139.37(5) 9_565 3_554 ?
Ca3A Sb3B Ca2 74.37(6) 9_565 11_566 ?
Ca3A Sb3B Ca2 74.37(6) 9_565 4_454 ?
Ca3A Sb3B Ca2 139.37(5) 9_565 12_666 ?
Ca3A Sb3B Ca5 144.65(13) 9_565 . ?
Ca3B Sb3B Ca1 74.74(12) 9_565 . ?
Ca3B Sb3B Ca1 74.74(12) 9_565 10 ?
Ca3B Sb3B Ca2 85.1(10) 9_565 4_454 ?
Ca3B Sb3B Ca2 144.6(4) 9_565 3_554 ?
Ca3B Sb3B Ca2 144.6(4) 9_565 12_666 ?
Ca3B Sb3B Ca2 85.1(10) 9_565 11_566 ?
Ca3B Sb3B Ca3A 12.4(11) 9_565 9_565 ?
Ca3B Sb3B Ca5 132.3(12) 9_565 . ?
Ca5 Sb3B Ca1 96.45(5) . . ?
Ca5 Sb3B Ca1 96.45(5) . 10 ?
Ca5 Sb3B Ca2 134.32(9) . 4_454 ?
Ca5 Sb3B Ca2 65.22(9) . 3_554 ?
Ca5 Sb3B Ca2 134.32(9) . 11_566 ?
Ca5 Sb3B Ca2 65.22(9) . 12_666 ?
Al1 Sb3B Ca1 77.71(5) . . ?
Al1 Sb3B Ca1 77.71(5) . 10 ?
Al1 Sb3B Ca2 133.76(14) . 4_454 ?
Al1 Sb3B Ca2 125.27(13) . 3_554 ?
Al1 Sb3B Ca2 125.27(13) . 12_666 ?
Al1 Sb3B Ca2 133.76(14) . 11_566 ?
Al1 Sb3B Ca3A 70.64(18) . 9_565 ?
Al1 Sb3B Ca3B 58.3(12) . 9_565 ?
Al1 Sb3B Ca5 74.0(2) . . ?
Sb3A Sb3B Ca1 93.57(9) . 10 ?
Sb3A Sb3B Ca1 93.57(9) . . ?
Sb3A Sb3B Ca2 84.4(3) . 3_554 ?
Sb3A Sb3B Ca2 29.49(2) . 11_566 ?
Sb3A Sb3B Ca2 84.4(3) . 12_666 ?
Sb3A Sb3B Ca2 29.49(2) . 4_454 ?
Sb3A Sb3B Ca3A 72.2(3) . 9_565 ?
Sb3A Sb3B Ca3B 84.6(12) . 9_565 ?
Sb3A Sb3B Ca5 143.1(4) . . ?
Sb3A Sb3B Al1 142.9(4) . . ?
Sb3A Sb3B Ca4 167.1(4) . . ?
Ca4 Sb3B Ca1 83.05(5) . 10 ?
Ca4 Sb3B Ca1 83.05(5) . . ?
Ca4 Sb3B Ca2 106.25(13) . 12_666 ?
Ca4 Sb3B Ca2 147.95(6) . 11_566 ?
Ca4 Sb3B Ca2 147.95(6) . 4_454 ?
Ca4 Sb3B Ca2 106.25(13) . 3_554 ?
Ca4 Sb3B Ca3A 94.86(16) . 9_565 ?
Ca4 Sb3B Ca3B 82.5(12) . 9_565 ?
Ca4 Sb3B Ca5 49.78(18) . . ?
Ca4 Sb3B Al1 24.22(18) . . ?
Ca2 Sb4A Ca2 63.92(3) 3_554 12_666 ?
Ca2 Sb4A Ca2 152.26(4) 3_554 5 ?
Ca2 Sb4A Ca2 108.95(3) 3_554 14_665 ?
Ca2 Sb4A Ca2 63.92(3) 5 14_665 ?
Ca2 Sb4A Ca2 108.95(3) 5 12_666 ?
Ca2 Sb4A Ca2 152.26(4) 12_666 14_665 ?
Ca2 Sb4A Ca5 57.06(5) 3_554 . ?
Ca2 Sb4A Ca5 144.09(4) 3_554 9_665 ?
Ca2 Sb4A Ca5 57.06(5) 12_666 . ?
Ca2 Sb4A Ca5 144.09(4) 12_666 9_665 ?
Ca2 Sb4A Ca5 57.06(5) 5 9_665 ?
Ca2 Sb4A Ca5 144.09(4) 5 . ?
Ca2 Sb4A Ca5 57.06(5) 14_665 9_665 ?
Ca2 Sb4A Ca5 144.09(4) 14_665 . ?
Ca2 Sb4A Ca6B 124.45(3) 3_554 11_666 ?
Ca2 Sb4A Ca6B 74.14(7) 14_665 3_554 ?
Ca2 Sb4A Ca6B 74.14(7) 5 11_666 ?
Ca2 Sb4A Ca6B 124.45(3) 12_666 3_554 ?
Ca2 Sb4A Ca6B 74.14(7) 12_666 11_666 ?
Ca2 Sb4A Ca6B 124.45(3) 5 3_554 ?
Ca2 Sb4A Ca6B 124.45(3) 14_665 11_666 ?
Ca2 Sb4A Ca6B 74.14(7) 3_554 3_554 ?
Ca3A Sb4A Ca2 76.13(2) . 3_554 ?
Ca3A Sb4A Ca2 76.13(2) . 5 ?
Ca3A Sb4A Ca2 76.13(2) . 14_665 ?
Ca3A Sb4A Ca2 76.13(2) . 12_666 ?
Ca3A Sb4A Ca5 123.73(7) . 9_665 ?
Ca3A Sb4A Ca5 123.73(7) . . ?
Ca3A Sb4A Ca6B 127.59(13) . 11_666 ?
Ca3A Sb4A Ca6B 127.59(13) . 3_554 ?
Ca5 Sb4A Ca5 112.54(13) 9_665 . ?
Ca6A Sb4A Ca2 123.71(2) 11_666 3_554 ?
Ca6A Sb4A Ca2 123.71(2) 3_554 12_666 ?
Ca6A Sb4A Ca2 76.31(3) 11_666 12_666 ?
Ca6A Sb4A Ca2 76.31(3) 3_554 14_665 ?
Ca6A Sb4A Ca2 76.31(3) 11_666 5 ?
Ca6A Sb4A Ca2 123.71(2) 11_666 14_665 ?
Ca6A Sb4A Ca2 76.31(3) 3_554 3_554 ?
Ca6A Sb4A Ca2 123.71(2) 3_554 5 ?
Ca6A Sb4A Ca3A 131.60(5) 11_666 . ?
Ca6A Sb4A Ca3A 131.60(5) 3_554 . ?
Ca6A Sb4A Ca5 68.37(5) 3_554 9_665 ?
Ca6A Sb4A Ca5 68.37(5) 11_666 9_665 ?
Ca6A Sb4A Ca5 68.37(5) 3_554 . ?
Ca6A Sb4A Ca5 68.37(5) 11_666 . ?
Ca6A Sb4A Ca6A 96.81(10) 11_666 3_554 ?
Ca6A Sb4A Ca6B 100.82(11) 11_666 3_554 ?
Ca6A Sb4A Ca6B 100.82(11) 3_554 11_666 ?
Ca6A Sb4A Ca6B 4.01(17) 11_666 11_666 ?
Ca6A Sb4A Ca6B 4.01(17) 3_554 3_554 ?
Ca6B Sb4A Ca5 70.20(7) 11_666 9_665 ?
Ca6B Sb4A Ca5 70.20(7) 3_554 9_665 ?
Ca6B Sb4A Ca5 70.20(7) 11_666 . ?
Ca6B Sb4A Ca5 70.20(7) 3_554 . ?
Ca6B Sb4A Ca6B 104.8(3) 11_666 3_554 ?
Sb4B Sb4A Ca2 103.87(2) . 12_666 ?
Sb4B Sb4A Ca2 103.87(2) . 14_665 ?
Sb4B Sb4A Ca2 103.87(2) . 5 ?
Sb4B Sb4A Ca2 103.87(2) . 3_554 ?
Sb4B Sb4A Ca3A 180.0(10) . . ?
Sb4B Sb4A Ca5 56.27(7) . 9_665 ?
Sb4B Sb4A Ca5 56.27(7) . . ?
Sb4B Sb4A Ca6A 48.40(5) . 3_554 ?
Sb4B Sb4A Ca6A 48.40(5) . 11_666 ?
Sb4B Sb4A Ca6B 52.41(13) . 11_666 ?
Sb4B Sb4A Ca6B 52.41(13) . 3_554 ?
Ca2 Sb4B Ca2 131.8(4) 12_666 14_665 ?
Ca2 Sb4B Ca2 99.85(19) 5 12_666 ?
Ca2 Sb4B Ca2 59.69(10) 3_554 12_666 ?
Ca2 Sb4B Ca2 59.69(10) 5 14_665 ?
Ca2 Sb4B Ca2 99.85(19) 3_554 14_665 ?
Ca2 Sb4B Ca2 131.8(4) 5 3_554 ?
Ca5 Sb4B Ca2 58.47(5) . 3_554 ?
Ca5 Sb4B Ca2 149.993(18) . 14_665 ?
Ca5 Sb4B Ca2 58.47(5) 9_665 5 ?
Ca5 Sb4B Ca2 149.993(18) 9_665 12_666 ?
Ca5 Sb4B Ca2 149.993(18) . 5 ?
Ca5 Sb4B Ca2 149.993(18) 9_665 3_554 ?
Ca5 Sb4B Ca2 58.47(5) 9_665 14_665 ?
Ca5 Sb4B Ca2 58.47(5) . 12_666 ?
Ca5 Sb4B Ca5 130.3(4) 9_665 . ?
Ca6A Sb4B Ca2 77.88(3) 11_666 12_666 ?
Ca6A Sb4B Ca2 129.63(5) 11_666 3_554 ?
Ca6A Sb4B Ca2 77.88(3) 3_554 3_554 ?
Ca6A Sb4B Ca2 77.88(3) 3_554 14_665 ?
Ca6A Sb4B Ca2 129.63(5) 3_554 12_666 ?
Ca6A Sb4B Ca2 129.63(5) 3_554 5 ?
Ca6A Sb4B Ca2 77.88(3) 11_666 5 ?
Ca6A Sb4B Ca2 129.63(5) 11_666 14_665 ?
Ca6A Sb4B Ca5 77.29(17) 3_554 9_665 ?
Ca6A Sb4B Ca5 77.29(17) 11_666 9_665 ?
Ca6A Sb4B Ca5 77.29(17) 11_666 . ?
Ca6A Sb4B Ca5 77.29(17) 3_554 . ?
Ca6A Sb4B Ca6A 116.8(4) 11_666 3_554 ?
Ca6A Sb4B Ca6B 120.3(4) 3_554 11_666 ?
Ca6A Sb4B Ca6B 3.52(15) 11_666 11_666 ?
Ca6A Sb4B Ca6B 120.3(4) 11_666 3_554 ?
Ca6A Sb4B Ca6B 3.52(15) 3_554 3_554 ?
Ca6A Sb4B Sb4B 58.4(2) 3_554 9_665 ?
Ca6A Sb4B Sb4B 58.4(2) 11_666 9_665 ?
Ca6B Sb4B Ca2 75.70(7) 11_666 12_666 ?
Ca6B Sb4B Ca2 75.70(7) 3_554 3_554 ?
Ca6B Sb4B Ca2 129.15(3) 3_554 12_666 ?
Ca6B Sb4B Ca2 75.70(7) 11_666 5 ?
Ca6B Sb4B Ca2 129.15(3) 11_666 3_554 ?
Ca6B Sb4B Ca2 129.15(3) 3_554 5 ?
Ca6B Sb4B Ca2 129.15(3) 11_666 14_665 ?
Ca6B Sb4B Ca2 75.70(7) 3_554 14_665 ?
Ca6B Sb4B Ca5 78.60(16) 3_554 9_665 ?
Ca6B Sb4B Ca5 78.60(16) 11_666 9_665 ?
Ca6B Sb4B Ca5 78.60(16) 11_666 . ?
Ca6B Sb4B Ca5 78.60(16) 3_554 . ?
Ca6B Sb4B Ca6B 123.9(5) 11_666 3_554 ?
Sb4A Sb4B Ca2 65.90(18) . 3_554 ?
Sb4A Sb4B Ca2 65.90(18) . 14_665 ?
Sb4A Sb4B Ca2 65.90(18) . 5 ?
Sb4A Sb4B Ca2 65.90(18) . 12_666 ?
Sb4A Sb4B Ca5 114.83(19) . 9_665 ?
Sb4A Sb4B Ca5 114.83(19) . . ?
Sb4A Sb4B Ca6A 121.6(2) . 11_666 ?
Sb4A Sb4B Ca6A 121.6(2) . 3_554 ?
Sb4A Sb4B Ca6B 118.1(2) . 11_666 ?
Sb4A Sb4B Ca6B 118.1(2) . 3_554 ?
Sb4A Sb4B Sb4B 180.0(13) . 9_665 ?
Sb4B Sb4B Ca2 114.10(18) 9_665 5 ?
Sb4B Sb4B Ca2 114.10(18) 9_665 12_666 ?
Sb4B Sb4B Ca2 114.10(18) 9_665 14_665 ?
Sb4B Sb4B Ca2 114.10(18) 9_665 3_554 ?
Sb4B Sb4B Ca5 65.17(19) 9_665 9_665 ?
Sb4B Sb4B Ca5 65.17(19) 9_665 . ?
Sb4B Sb4B Ca6B 61.9(2) 9_665 11_666 ?
Sb4B Sb4B Ca6B 61.9(2) 9_665 3_554 ?
Ca1 Sb5 Ca1 86.43(4) 15 . ?
Ca1 Sb5 Ca1 86.43(4) 16 2 ?
Ca1 Sb5 Ca1 140.93(4) 16 15 ?
Ca1 Sb5 Ca1 140.93(4) 2 . ?
Ca1 Sb5 Ca1 80.72(4) 16 . ?
Ca1 Sb5 Ca1 80.72(4) 15 2 ?
Ca1 Sb5 Ca3A 70.87(2) 2 1_545 ?
Ca1 Sb5 Ca3A 136.09(2) 15 1_545 ?
Ca1 Sb5 Ca3A 70.87(2) 16 1_545 ?
Ca1 Sb5 Ca3A 136.09(2) . 1_545 ?
Ca1 Sb5 Ca3B 134.6(2) 2 9_565 ?
Ca1 Sb5 Ca3B 134.6(2) 15 1_545 ?
Ca1 Sb5 Ca3B 75.8(5) . 9_565 ?
Ca1 Sb5 Ca3B 75.8(5) 16 1_545 ?
Ca1 Sb5 Ca3B 75.8(5) 2 1_545 ?
Ca1 Sb5 Ca3B 134.6(2) 16 9_565 ?
Ca1 Sb5 Ca3B 134.5(2) . 1_545 ?
Ca1 Sb5 Ca3B 75.8(5) 15 9_565 ?
Ca1 Sb5 Ca6B 70.47(2) 16 . ?
Ca1 Sb5 Ca6B 70.47(2) 15 . ?
Ca1 Sb5 Ca6B 70.47(2) . . ?
Ca1 Sb5 Ca6B 70.47(2) 2 . ?
Ca1 Sb5 Ca4 138.12(2) . 9 ?
Ca1 Sb5 Ca4 70.73(5) 15 9 ?
Ca1 Sb5 Ca4 138.12(2) 16 9 ?
Ca1 Sb5 Ca4 70.73(5) . . ?
Ca1 Sb5 Ca4 138.12(2) 15 . ?
Ca1 Sb5 Ca4 70.73(5) 2 9 ?
Ca1 Sb5 Ca4 138.12(2) 2 . ?
Ca1 Sb5 Ca4 70.73(5) 16 . ?
Ca3B Sb5 Ca3A 7.1(8) 1_545 1_545 ?
Ca3B Sb5 Ca3A 101.0(8) 9_565 1_545 ?
Ca3B Sb5 Ca3B 93.9(15) 9_565 1_545 ?
Ca3B Sb5 Ca6B 133.0(8) 1_545 . ?
Ca3B Sb5 Ca6B 133.0(8) 9_565 . ?
Ca3B Sb5 Ca4 65.0(4) 1_545 . ?
Ca3B Sb5 Ca4 65.0(4) 9_565 . ?
Ca3B Sb5 Ca4 65.0(4) 1_545 9 ?
Ca3B Sb5 Ca4 65.0(4) 9_565 9 ?
Ca6B Sb5 Ca3A 125.97(2) . 1_545 ?
Al1 Sb5 Ca1 132.59(8) 9 . ?
Al1 Sb5 Ca1 81.95(12) . 16 ?
Al1 Sb5 Ca1 132.59(8) . 2 ?
Al1 Sb5 Ca1 81.95(12) 9 2 ?
Al1 Sb5 Ca1 132.59(8) . 15 ?
Al1 Sb5 Ca1 81.95(12) . . ?
Al1 Sb5 Ca1 132.59(8) 9 16 ?
Al1 Sb5 Ca1 81.95(12) 9 15 ?
Al1 Sb5 Ca3A 61.87(7) . 1_545 ?
Al1 Sb5 Ca3A 61.87(7) 9 1_545 ?
Al1 Sb5 Ca3B 56.8(5) 9 9_565 ?
Al1 Sb5 Ca3B 56.8(5) 9 1_545 ?
Al1 Sb5 Ca3B 56.8(5) . 1_545 ?
Al1 Sb5 Ca3B 56.8(5) . 9_565 ?
Al1 Sb5 Ca6B 143.39(16) 9 . ?
Al1 Sb5 Ca6B 143.39(16) . . ?
Al1 Sb5 Al1 73.2(3) . 9 ?
Al1 Sb5 Ca4 15.07(15) 9 9 ?
Al1 Sb5 Ca4 15.07(15) . . ?
Al1 Sb5 Ca4 88.30(18) 9 . ?
Al1 Sb5 Ca4 88.30(18) . 9 ?
Ca4 Sb5 Ca3A 68.64(3) 9 1_545 ?
Ca4 Sb5 Ca3A 68.64(3) . 1_545 ?
Ca4 Sb5 Ca6B 128.31(6) . . ?
Ca4 Sb5 Ca6B 128.31(6) 9 . ?
Ca4 Sb5 Ca4 103.37(11) . 9 ?
Ca1 Sb6 Ca1 96.334(12) . 11_566 ?
Ca1 Sb6 Ca1 96.334(12) 11_566 2_565 ?
Ca1 Sb6 Ca1 96.335(12) . 12_666 ?
Ca1 Sb6 Ca1 141.20(4) 12_666 11_566 ?
Ca1 Sb6 Ca1 141.20(4) . 2_565 ?
Ca1 Sb6 Ca1 96.334(12) 12_666 2_565 ?
Ca1 Sb6 Ca2 71.61(3) 12_666 12_666 ?
Ca1 Sb6 Ca2 71.61(3) 11_566 11_566 ?
Ca1 Sb6 Ca2 147.16(3) 12_666 11_566 ?
Ca1 Sb6 Ca2 73.25(3) 2_565 12_666 ?
Ca1 Sb6 Ca2 73.25(3) . 11_566 ?
Ca1 Sb6 Ca2 76.32(3) 12_666 2_565 ?
Ca1 Sb6 Ca2 71.61(3) 2_565 2_565 ?
Ca1 Sb6 Ca2 147.16(3) 2_565 . ?
Ca1 Sb6 Ca2 76.32(3) . 12_666 ?
Ca1 Sb6 Ca2 76.32(3) 2_565 11_566 ?
Ca1 Sb6 Ca2 76.32(3) 11_566 . ?
Ca1 Sb6 Ca2 147.16(3) . 2_565 ?
Ca1 Sb6 Ca2 71.62(3) . . ?
Ca1 Sb6 Ca2 73.25(3) 11_566 2_565 ?
Ca1 Sb6 Ca2 147.16(3) 11_566 12_666 ?
Ca1 Sb6 Ca2 73.25(3) 12_666 . ?
Ca2 Sb6 Ca2 75.64(3) . 2_565 ?
Ca2 Sb6 Ca2 128.61(2) . 12_666 ?
Ca2 Sb6 Ca2 128.61(2) 11_566 2_565 ?
Ca2 Sb6 Ca2 128.61(2) . 11_566 ?
Ca2 Sb6 Ca2 128.61(2) 2_565 12_666 ?
Ca2 Sb6 Ca2 75.64(3) 11_566 12_666 ?
Ca3B Ca4 Ca3B 80.5(15) 9_565 1_545 ?
Ca3B Ca4 Sb2A 118.8(4) 9_565 10 ?
Ca3B Ca4 Sb2A 118.8(4) 1_545 . ?
Ca3B Ca4 Sb2A 118.8(4) 9_565 . ?
Ca3B Ca4 Sb2A 118.8(4) 1_545 10 ?
Ca5 Ca4 Ca3B 139.8(8) . 9_565 ?
Ca5 Ca4 Ca3B 139.8(8) . 1_545 ?
Ca5 Ca4 Sb2A 50.88(8) . . ?
Ca5 Ca4 Sb2A 50.88(8) . 10 ?
Ca5 Ca4 Sb3A 85.26(11) . . ?
Ca5 Ca4 Sb3A 85.26(11) . 7 ?
Ca5 Ca4 Sb5 141.69(6) . 9 ?
Ca5 Ca4 Sb5 141.69(6) . . ?
Al1 Ca4 Ca3B 40.2(8) . 9_565 ?
Al1 Ca4 Ca3B 40.2(8) . 1_545 ?
Al1 Ca4 Ca5 180.0(5) . . ?
Al1 Ca4 Sb2A 129.12(8) . . ?
Al1 Ca4 Sb2A 129.12(8) . 10 ?
Al1 Ca4 Sb3A 94.74(11) . . ?
Al1 Ca4 Sb3A 94.74(11) . 7 ?
Al1 Ca4 Sb3B 97.18(15) . . ?
Al1 Ca4 Sb3B 97.18(15) . 7 ?
Al1 Ca4 Sb5 38.31(6) . . ?
Al1 Ca4 Sb5 38.31(6) . 9 ?
Sb2A Ca4 Sb2A 101.77(16) . 10 ?
Sb3A Ca4 Ca3B 135.0(8) 7 9_565 ?
Sb3A Ca4 Ca3B 54.5(8) 7 1_545 ?
Sb3A Ca4 Ca3B 54.5(8) . 9_565 ?
Sb3A Ca4 Ca3B 135.0(8) . 1_545 ?
Sb3A Ca4 Sb2A 87.01(7) 7 10 ?
Sb3A Ca4 Sb2A 87.01(7) . 10 ?
Sb3A Ca4 Sb2A 87.01(7) . . ?
Sb3A Ca4 Sb2A 87.01(7) 7 . ?
Sb3A Ca4 Sb3A 170.5(2) . 7 ?
Sb3A Ca4 Sb5 93.72(8) . 9 ?
Sb3A Ca4 Sb5 93.72(8) . . ?
Sb3A Ca4 Sb5 93.72(8) 7 9 ?
Sb3A Ca4 Sb5 93.72(8) 7 . ?
Sb3B Ca4 Ca3B 56.9(8) . 9_565 ?
Sb3B Ca4 Ca3B 137.4(8) . 1_545 ?
Sb3B Ca4 Ca3B 56.9(8) 7 1_545 ?
Sb3B Ca4 Ca3B 137.4(8) 7 9_565 ?
Sb3B Ca4 Ca5 82.82(15) 7 . ?
Sb3B Ca4 Ca5 82.82(15) . . ?
Sb3B Ca4 Sb2A 85.48(10) . . ?
Sb3B Ca4 Sb2A 85.48(10) 7 . ?
Sb3B Ca4 Sb2A 85.48(10) . 10 ?
Sb3B Ca4 Sb2A 85.48(10) 7 10 ?
Sb3B Ca4 Sb3A 2.44(7) 7 7 ?
Sb3B Ca4 Sb3A 168.1(2) 7 . ?
Sb3B Ca4 Sb3A 168.1(2) . 7 ?
Sb3B Ca4 Sb3A 2.44(7) . . ?
Sb3B Ca4 Sb3B 165.6(3) . 7 ?
Sb3B Ca4 Sb5 95.63(11) 7 9 ?
Sb3B Ca4 Sb5 95.63(11) . 9 ?
Sb3B Ca4 Sb5 95.63(11) . . ?
Sb3B Ca4 Sb5 95.63(11) 7 . ?
Sb5 Ca4 Ca3B 53.2(5) 9 1_545 ?
Sb5 Ca4 Ca3B 53.2(5) . 1_545 ?
Sb5 Ca4 Ca3B 53.2(5) 9 9_565 ?
Sb5 Ca4 Ca3B 53.2(5) . 9_565 ?
Sb5 Ca4 Sb2A 90.80(5) 9 10 ?
Sb5 Ca4 Sb2A 90.80(5) . . ?
Sb5 Ca4 Sb2A 167.43(13) 9 . ?
Sb5 Ca4 Sb2A 167.43(13) . 10 ?
Sb5 Ca4 Sb5 76.63(11) 9 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ca1 Sb3A Sb3B Ca1 148.57(12) . . . 10 ?
Ca1 Sb3A Sb3B Ca1 -148.57(12) 10 . . . ?
Ca1 Sb3A Sb3B Ca2 -15.3(5) . . . 11_566 ?
Ca1 Sb3A Sb3B Ca2 -163.8(4) 10 . . 11_566 ?
Ca1 Sb3A Sb3B Ca2 72.02(5) 10 . . 3_554 ?
Ca1 Sb3A Sb3B Ca2 -139.40(7) . . . 3_554 ?
Ca1 Sb3A Sb3B Ca2 -72.02(5) . . . 12_666 ?
Ca1 Sb3A Sb3B Ca2 163.8(4) . . . 4_454 ?
Ca1 Sb3A Sb3B Ca2 139.40(7) 10 . . 12_666 ?
Ca1 Sb3A Sb3B Ca2 15.3(5) 10 . . 4_454 ?
Ca1 Sb3A Sb3B Ca3A -74.29(6) 10 . . 9_565 ?
Ca1 Sb3A Sb3B Ca3A 74.29(6) . . . 9_565 ?
Ca1 Sb3A Sb3B Ca3B -74.29(6) 10 . . 9_565 ?
Ca1 Sb3A Sb3B Ca3B 74.29(6) . . . 9_565 ?
Ca1 Sb3A Sb3B Ca5 -105.71(6) . . . . ?
Ca1 Sb3A Sb3B Ca5 105.71(6) 10 . . . ?
Ca1 Sb3A Sb3B Al1 -74.29(6) 10 . . . ?
Ca1 Sb3A Sb3B Al1 74.29(6) . . . . ?
Ca1 Sb3A Sb3B Ca4 -74.29(6) 10 . . . ?
Ca1 Sb3A Sb3B Ca4 74.29(6) . . . . ?
Ca2 Sb3A Sb3B Ca1 -139.40(7) 12_666 . . 10 ?
Ca2 Sb3A Sb3B Ca1 72.02(5) 12_666 . . . ?
Ca2 Sb3A Sb3B Ca1 -15.3(5) 4_454 . . 10 ?
Ca2 Sb3A Sb3B Ca1 -72.02(5) 3_554 . . 10 ?
Ca2 Sb3A Sb3B Ca1 -163.8(4) 4_454 . . . ?
Ca2 Sb3A Sb3B Ca1 15.3(5) 11_566 . . . ?
Ca2 Sb3A Sb3B Ca1 139.40(7) 3_554 . . . ?
Ca2 Sb3A Sb3B Ca1 163.8(4) 11_566 . . 10 ?
Ca2 Sb3A Sb3B Ca2 124.1(5) 4_454 . . 12_666 ?
Ca2 Sb3A Sb3B Ca2 -124.1(5) 12_666 . . 4_454 ?
Ca2 Sb3A Sb3B Ca2 56.8(5) 12_666 . . 11_566 ?
Ca2 Sb3A Sb3B Ca2 179.1(9) 11_566 . . 4_454 ?
Ca2 Sb3A Sb3B Ca2 124.1(5) 3_554 . . 11_566 ?
Ca2 Sb3A Sb3B Ca2 -179.1(9) 4_454 . . 11_566 ?
Ca2 Sb3A Sb3B Ca2 56.8(5) 4_454 . . 3_554 ?
Ca2 Sb3A Sb3B Ca2 -56.8(5) 11_566 . . 12_666 ?
Ca2 Sb3A Sb3B Ca2 -67.38(4) 12_666 . . 3_554 ?
Ca2 Sb3A Sb3B Ca2 -56.8(5) 3_554 . . 4_454 ?
Ca2 Sb3A Sb3B Ca2 67.38(4) 3_554 . . 12_666 ?
Ca2 Sb3A Sb3B Ca2 -124.1(5) 11_566 . . 3_554 ?
Ca2 Sb3A Sb3B Ca3A -146.309(19) 3_554 . . 9_565 ?
Ca2 Sb3A Sb3B Ca3A 89.6(5) 11_566 . . 9_565 ?
Ca2 Sb3A Sb3B Ca3A 146.309(19) 12_666 . . 9_565 ?
Ca2 Sb3A Sb3B Ca3A -89.6(5) 4_454 . . 9_565 ?
Ca2 Sb3A Sb3B Ca3B 89.6(5) 11_566 . . 9_565 ?
Ca2 Sb3A Sb3B Ca3B 146.309(19) 12_666 . . 9_565 ?
Ca2 Sb3A Sb3B Ca3B -89.6(5) 4_454 . . 9_565 ?
Ca2 Sb3A Sb3B Ca3B -146.309(19) 3_554 . . 9_565 ?
Ca2 Sb3A Sb3B Ca5 90.4(5) 4_454 . . . ?
Ca2 Sb3A Sb3B Ca5 -33.691(19) 12_666 . . . ?
Ca2 Sb3A Sb3B Ca5 33.691(19) 3_554 . . . ?
Ca2 Sb3A Sb3B Ca5 -90.4(5) 11_566 . . . ?
Ca2 Sb3A Sb3B Al1 146.309(19) 12_666 . . . ?
Ca2 Sb3A Sb3B Al1 -146.309(19) 3_554 . . . ?
Ca2 Sb3A Sb3B Al1 89.6(5) 11_566 . . . ?
Ca2 Sb3A Sb3B Al1 -89.6(5) 4_454 . . . ?
Ca2 Sb3A Sb3B Ca4 146.309(19) 12_666 . . . ?
Ca2 Sb3A Sb3B Ca4 89.6(5) 11_566 . . . ?
Ca2 Sb3A Sb3B Ca4 -146.309(19) 3_554 . . . ?
Ca2 Sb3A Sb3B Ca4 -89.6(5) 4_454 . . . ?
Ca2 Sb4A Sb4B Ca2 180.000(1) 12_666 . . 14_665 ?
Ca2 Sb4A Sb4B Ca2 113.92(3) 5 . . 12_666 ?
Ca2 Sb4A Sb4B Ca2 -113.92(3) 14_665 . . 3_554 ?
Ca2 Sb4A Sb4B Ca2 -66.08(3) 3_554 . . 12_666 ?
Ca2 Sb4A Sb4B Ca2 180.000(1) 5 . . 3_554 ?
Ca2 Sb4A Sb4B Ca2 66.08(3) 12_666 . . 3_554 ?
Ca2 Sb4A Sb4B Ca2 -113.92(3) 12_666 . . 5 ?
Ca2 Sb4A Sb4B Ca2 -66.08(3) 5 . . 14_665 ?
Ca2 Sb4A Sb4B Ca2 66.08(3) 14_665 . . 5 ?
Ca2 Sb4A Sb4B Ca2 180.000(1) 14_665 . . 12_666 ?
Ca2 Sb4A Sb4B Ca2 113.92(3) 3_554 . . 14_665 ?
Ca2 Sb4A Sb4B Ca2 180.000(1) 3_554 . . 5 ?
Ca2 Sb4A Sb4B Ca5 33.038(17) 12_666 . . . ?
Ca2 Sb4A Sb4B Ca5 -33.038(17) 5 . . 9_665 ?
Ca2 Sb4A Sb4B Ca5 146.962(17) 5 . . . ?
Ca2 Sb4A Sb4B Ca5 146.962(17) 3_554 . . 9_665 ?
Ca2 Sb4A Sb4B Ca5 -146.962(17) 12_666 . . 9_665 ?
Ca2 Sb4A Sb4B Ca5 33.038(17) 14_665 . . 9_665 ?
Ca2 Sb4A Sb4B Ca5 -146.962(17) 14_665 . . . ?
Ca2 Sb4A Sb4B Ca5 -33.038(17) 3_554 . . . ?
Ca2 Sb4A Sb4B Ca6A -56.962(17) 14_665 . . 3_554 ?
Ca2 Sb4A Sb4B Ca6A 56.962(17) 5 . . 11_666 ?
Ca2 Sb4A Sb4B Ca6A -56.962(17) 12_666 . . 11_666 ?
Ca2 Sb4A Sb4B Ca6A 56.962(17) 3_554 . . 3_554 ?
Ca2 Sb4A Sb4B Ca6A 123.038(17) 14_665 . . 11_666 ?
Ca2 Sb4A Sb4B Ca6A 123.038(17) 12_666 . . 3_554 ?
Ca2 Sb4A Sb4B Ca6A -123.038(17) 5 . . 3_554 ?
Ca2 Sb4A Sb4B Ca6A -123.038(17) 3_554 . . 11_666 ?
Ca2 Sb4A Sb4B Ca6B -123.038(17) 3_554 . . 11_666 ?
Ca2 Sb4A Sb4B Ca6B -123.038(17) 5 . . 3_554 ?
Ca2 Sb4A Sb4B Ca6B -56.962(17) 14_665 . . 3_554 ?
Ca2 Sb4A Sb4B Ca6B 56.962(17) 3_554 . . 3_554 ?
Ca2 Sb4A Sb4B Ca6B 123.038(17) 14_665 . . 11_666 ?
Ca2 Sb4A Sb4B Ca6B 123.038(17) 12_666 . . 3_554 ?
Ca2 Sb4A Sb4B Ca6B 56.962(17) 5 . . 11_666 ?
Ca2 Sb4A Sb4B Ca6B -56.962(17) 12_666 . . 11_666 ?
Ca3A Al1 Ca4 Ca3B 0.0 1_545 . . 1_545 ?
Ca3A Al1 Ca4 Ca3B 180.0 1_545 . . 9_565 ?
Ca3A Al1 Ca4 Ca3B 180.0 9_565 . . 1_545 ?
Ca3A Al1 Ca4 Ca3B 0.0 9_565 . . 9_565 ?
Ca3A Al1 Ca4 Sb2A -90.0 9_565 . . 10 ?
Ca3A Al1 Ca4 Sb2A 90.000(0) 9_565 . . . ?
Ca3A Al1 Ca4 Sb2A 90.000(0) 1_545 . . 10 ?
Ca3A Al1 Ca4 Sb2A -90.0 1_545 . . . ?
Ca3A Al1 Ca4 Sb3A 180.0 9_565 . . 7 ?
Ca3A Al1 Ca4 Sb3A 0.0 1_545 . . 7 ?
Ca3A Al1 Ca4 Sb3A 0.0 9_565 . . . ?
Ca3A Al1 Ca4 Sb3A 180.0 1_545 . . . ?
Ca3A Al1 Ca4 Sb3B 0.0 9_565 . . . ?
Ca3A Al1 Ca4 Sb3B 180.0 1_545 . . . ?
Ca3A Al1 Ca4 Sb3B 180.0 9_565 . . 7 ?
Ca3A Al1 Ca4 Sb3B 0.0 1_545 . . 7 ?
Ca3A Al1 Ca4 Sb5 90.000(0) 1_545 . . 9 ?
Ca3A Al1 Ca4 Sb5 -90.000(0) 9_565 . . 9 ?
Ca3A Al1 Ca4 Sb5 -90.000(0) 1_545 . . . ?
Ca3A Al1 Ca4 Sb5 90.0 9_565 . . . ?
Ca3A Sb3A Sb3B Ca1 -74.29(6) 9_565 . . . ?
Ca3A Sb3A Sb3B Ca1 74.29(6) 9_565 . . 10 ?
Ca3A Sb3A Sb3B Ca2 -89.6(5) 9_565 . . 11_566 ?
Ca3A Sb3A Sb3B Ca2 -146.309(19) 9_565 . . 12_666 ?
Ca3A Sb3A Sb3B Ca2 146.309(19) 9_565 . . 3_554 ?
Ca3A Sb3A Sb3B Ca2 89.6(5) 9_565 . . 4_454 ?
Ca3A Sb3A Sb3B Ca3B 0.0 9_565 . . 9_565 ?
Ca3A Sb3A Sb3B Ca5 180.0 9_565 . . . ?
Ca3A Sb3A Sb3B Al1 0.0 9_565 . . . ?
Ca3A Sb3A Sb3B Ca4 0.0 9_565 . . . ?
Ca3B Al1 Ca4 Ca3B 180.0 9_565 . . 1_545 ?
Ca3B Al1 Ca4 Ca3B 180.0 1_545 . . 9_565 ?
Ca3B Al1 Ca4 Sb2A -90.0 9_565 . . 10 ?
Ca3B Al1 Ca4 Sb2A 90.000(0) 9_565 . . . ?
Ca3B Al1 Ca4 Sb2A -90.0 1_545 . . . ?
Ca3B Al1 Ca4 Sb2A 90.000(0) 1_545 . . 10 ?
Ca3B Al1 Ca4 Sb3A 0.0 1_545 . . 7 ?
Ca3B Al1 Ca4 Sb3A 180.0 9_565 . . 7 ?
Ca3B Al1 Ca4 Sb3A 180.0 1_545 . . . ?
Ca3B Al1 Ca4 Sb3A 0.0 9_565 . . . ?
Ca3B Al1 Ca4 Sb3B 0.0 9_565 . . . ?
Ca3B Al1 Ca4 Sb3B 180.0 1_545 . . . ?
Ca3B Al1 Ca4 Sb3B 0.0 1_545 . . 7 ?
Ca3B Al1 Ca4 Sb3B 180.0 9_565 . . 7 ?
Ca3B Al1 Ca4 Sb5 -90.000(0) 9_565 . . 9 ?
Ca3B Al1 Ca4 Sb5 90.0 9_565 . . . ?
Ca3B Al1 Ca4 Sb5 90.000(0) 1_545 . . 9 ?
Ca3B Al1 Ca4 Sb5 -90.000(0) 1_545 . . . ?
Ca3B Sb3A Sb3B Ca1 -74.29(6) 9_565 . . . ?
Ca3B Sb3A Sb3B Ca1 74.29(6) 9_565 . . 10 ?
Ca3B Sb3A Sb3B Ca2 146.309(19) 9_565 . . 3_554 ?
Ca3B Sb3A Sb3B Ca2 89.6(5) 9_565 . . 4_454 ?
Ca3B Sb3A Sb3B Ca2 -89.6(5) 9_565 . . 11_566 ?
Ca3B Sb3A Sb3B Ca2 -146.309(19) 9_565 . . 12_666 ?
Ca3B Sb3A Sb3B Ca3A 0.0 9_565 . . 9_565 ?
Ca3B Sb3A Sb3B Ca5 180.0 9_565 . . . ?
Ca3B Sb3A Sb3B Al1 0.0 9_565 . . . ?
Ca3B Sb3A Sb3B Ca4 0.0 9_565 . . . ?
Ca5 Al1 Ca4 Ca3B 180.0 . . . 9_565 ?
Ca5 Al1 Ca4 Ca3B 0.0 . . . 1_545 ?
Ca5 Al1 Ca4 Sb2A -90.000(1) . . . . ?
Ca5 Al1 Ca4 Sb2A 90.000(1) . . . 10 ?
Ca5 Al1 Ca4 Sb3A 180.0 . . . . ?
Ca5 Al1 Ca4 Sb3A 0.0 . . . 7 ?
Ca5 Al1 Ca4 Sb3B 180.0 . . . . ?
Ca5 Al1 Ca4 Sb3B 0.0 . . . 7 ?
Ca5 Al1 Ca4 Sb5 -90.000(1) . . . . ?
Ca5 Al1 Ca4 Sb5 90.000(1) . . . 9 ?
Ca5 Sb3A Sb3B Ca1 105.71(6) . . . . ?
Ca5 Sb3A Sb3B Ca1 -105.71(6) . . . 10 ?
Ca5 Sb3A Sb3B Ca2 90.4(5) . . . 11_566 ?
Ca5 Sb3A Sb3B Ca2 -33.691(19) . . . 3_554 ?
Ca5 Sb3A Sb3B Ca2 33.691(19) . . . 12_666 ?
Ca5 Sb3A Sb3B Ca2 -90.4(5) . . . 4_454 ?
Ca5 Sb3A Sb3B Ca3A 180.0 . . . 9_565 ?
Ca5 Sb3A Sb3B Ca3B 180.0 . . . 9_565 ?
Ca5 Sb3A Sb3B Al1 180.0 . . . . ?
Ca5 Sb3A Sb3B Ca4 180.0 . . . . ?
Ca5 Sb4A Sb4B Ca2 33.038(17) . . . 3_554 ?
Ca5 Sb4A Sb4B Ca2 146.962(17) 9_665 . . 12_666 ?
Ca5 Sb4A Sb4B Ca2 -146.962(17) 9_665 . . 3_554 ?
Ca5 Sb4A Sb4B Ca2 -33.038(17) 9_665 . . 14_665 ?
Ca5 Sb4A Sb4B Ca2 -33.038(17) . . . 12_666 ?
Ca5 Sb4A Sb4B Ca2 33.038(17) 9_665 . . 5 ?
Ca5 Sb4A Sb4B Ca2 -146.962(17) . . . 5 ?
Ca5 Sb4A Sb4B Ca2 146.962(17) . . . 14_665 ?
Ca5 Sb4A Sb4B Ca5 180.0 . . . 9_665 ?
Ca5 Sb4A Sb4B Ca5 180.0 9_665 . . . ?
Ca5 Sb4A Sb4B Ca6A 90.000(2) . . . 3_554 ?
Ca5 Sb4A Sb4B Ca6A -90.000(1) . . . 11_666 ?
Ca5 Sb4A Sb4B Ca6A -90.000(2) 9_665 . . 3_554 ?
Ca5 Sb4A Sb4B Ca6A 90.000(1) 9_665 . . 11_666 ?
Ca5 Sb4A Sb4B Ca6B 90.000(2) . . . 3_554 ?
Ca5 Sb4A Sb4B Ca6B 90.000(1) 9_665 . . 11_666 ?
Ca5 Sb4A Sb4B Ca6B -90.000(1) . . . 11_666 ?
Ca5 Sb4A Sb4B Ca6B -90.000(1) 9_665 . . 3_554 ?
Ca6A Sb4A Sb4B Ca2 -123.038(17) 3_554 . . 12_666 ?
Ca6A Sb4A Sb4B Ca2 -56.962(17) 11_666 . . 5 ?
Ca6A Sb4A Sb4B Ca2 56.962(17) 3_554 . . 14_665 ?
Ca6A Sb4A Sb4B Ca2 123.038(17) 11_666 . . 3_554 ?
Ca6A Sb4A Sb4B Ca2 -123.038(17) 11_666 . . 14_665 ?
Ca6A Sb4A Sb4B Ca2 -56.962(17) 3_554 . . 3_554 ?
Ca6A Sb4A Sb4B Ca2 123.038(17) 3_554 . . 5 ?
Ca6A Sb4A Sb4B Ca2 56.962(17) 11_666 . . 12_666 ?
Ca6A Sb4A Sb4B Ca5 -90.000(2) 11_666 . . 9_665 ?
Ca6A Sb4A Sb4B Ca5 -90.000(2) 3_554 . . . ?
Ca6A Sb4A Sb4B Ca5 90.000(2) 11_666 . . . ?
Ca6A Sb4A Sb4B Ca5 90.000(2) 3_554 . . 9_665 ?
Ca6A Sb4A Sb4B Ca6A 180.000(4) 11_666 . . 3_554 ?
Ca6A Sb4A Sb4B Ca6A 180.000(3) 3_554 . . 11_666 ?
Ca6A Sb4A Sb4B Ca6B 180.000(3) 3_554 . . 11_666 ?
Ca6A Sb4A Sb4B Ca6B 180.000(4) 11_666 . . 3_554 ?
Ca6A Sb4A Sb4B Ca6B 0.000(1) 11_666 . . 11_666 ?
Ca6A Sb4A Sb4B Ca6B 0.000(0) 3_554 . . 3_554 ?
Ca6B Sb4A Sb4B Ca2 -123.038(17) 11_666 . . 14_665 ?
Ca6B Sb4A Sb4B Ca2 -56.962(17) 3_554 . . 3_554 ?
Ca6B Sb4A Sb4B Ca2 123.038(17) 3_554 . . 5 ?
Ca6B Sb4A Sb4B Ca2 -56.962(17) 11_666 . . 5 ?
Ca6B Sb4A Sb4B Ca2 56.962(17) 3_554 . . 14_665 ?
Ca6B Sb4A Sb4B Ca2 -123.038(17) 3_554 . . 12_666 ?
Ca6B Sb4A Sb4B Ca2 123.038(17) 11_666 . . 3_554 ?
Ca6B Sb4A Sb4B Ca2 56.962(17) 11_666 . . 12_666 ?
Ca6B Sb4A Sb4B Ca5 -90.000(1) 3_554 . . . ?
Ca6B Sb4A Sb4B Ca5 -90.000(2) 11_666 . . 9_665 ?
Ca6B Sb4A Sb4B Ca5 90.000(2) 3_554 . . 9_665 ?
Ca6B Sb4A Sb4B Ca5 90.000(2) 11_666 . . . ?
Ca6B Sb4A Sb4B Ca6A 180.000(4) 11_666 . . 3_554 ?
Ca6B Sb4A Sb4B Ca6A 0.000(0) 3_554 . . 3_554 ?
Ca6B Sb4A Sb4B Ca6A 180.000(3) 3_554 . . 11_666 ?
Ca6B Sb4A Sb4B Ca6A 0.000(0) 11_666 . . 11_666 ?
Ca6B Sb4A Sb4B Ca6B 180.000(3) 11_666 . . 3_554 ?
Ca6B Sb4A Sb4B Ca6B 180.000(2) 3_554 . . 11_666 ?
Al1 Ca3A Ca3B Ca1 -56.188(15) 9_565 . . 9_565 ?
Al1 Ca3A Ca3B Ca1 123.812(15) 1_565 . . 9_565 ?
Al1 Ca3A Ca3B Al1 180.0 9_565 . . 1_565 ?
Al1 Ca3A Ca3B Al1 180.0 1_565 . . 9_565 ?
Al1 Ca3A Ca3B Sb3A 180.0 9_565 . . 7_565 ?
Al1 Ca3A Ca3B Sb3A 180.0 1_565 . . 9_565 ?
Al1 Ca3A Ca3B Sb3A 0.0 1_565 . . 7_565 ?
Al1 Ca3A Ca3B Sb3A 0.0 9_565 . . 9_565 ?
Al1 Ca3A Ca3B Sb3B 0.0 1_565 . . 7_565 ?
Al1 Ca3A Ca3B Sb3B 0.0 9_565 . . 9_565 ?
Al1 Ca3A Ca3B Sb3B 180.0 9_565 . . 7_565 ?
Al1 Ca3A Ca3B Sb3B 180.0 1_565 . . 9_565 ?
Al1 Ca3A Ca3B Sb5 90.000(17) 1_565 . . 9_565 ?
Al1 Ca3A Ca3B Sb5 -90.000(16) 1_565 . . 1_565 ?
Al1 Ca3A Ca3B Sb5 -90.000(16) 9_565 . . 9_565 ?
Al1 Ca3A Ca3B Sb5 90.000(16) 9_565 . . 1_565 ?
Al1 Ca3A Ca3B Ca4 0.0 1_565 . . 1_565 ?
Al1 Ca3A Ca3B Ca4 180.0 9_565 . . 1_565 ?
Al1 Ca3A Ca3B Ca4 180.0 1_565 . . 9_565 ?
Al1 Ca3A Ca3B Ca4 0.0 9_565 . . 9_565 ?
Sb1 Ca3A Ca3B Ca1 33.812(16) 3_554 . . 9_565 ?
Sb1 Ca3A Ca3B Ca1 -146.188(16) 12_666 . . 9_565 ?
Sb1 Ca3A Ca3B Al1 -90.000(9) 3_554 . . 1_565 ?
Sb1 Ca3A Ca3B Al1 -90.000(6) 12_666 . . 9_565 ?
Sb1 Ca3A Ca3B Al1 90.000(9) 3_554 . . 9_565 ?
Sb1 Ca3A Ca3B Al1 90.000(7) 12_666 . . 1_565 ?
Sb1 Ca3A Ca3B Sb3A 90.000(7) 12_666 . . 7_565 ?
Sb1 Ca3A Ca3B Sb3A 90.000(9) 3_554 . . 9_565 ?
Sb1 Ca3A Ca3B Sb3A -90.000(9) 3_554 . . 7_565 ?
Sb1 Ca3A Ca3B Sb3A -90.000(6) 12_666 . . 9_565 ?
Sb1 Ca3A Ca3B Sb3B -90.000(6) 12_666 . . 9_565 ?
Sb1 Ca3A Ca3B Sb3B 90.000(9) 3_554 . . 9_565 ?
Sb1 Ca3A Ca3B Sb3B 90.000(7) 12_666 . . 7_565 ?
Sb1 Ca3A Ca3B Sb3B -90.000(9) 3_554 . . 7_565 ?
Sb1 Ca3A Ca3B Sb5 180.000(10) 12_666 . . 9_565 ?
Sb1 Ca3A Ca3B Sb5 180.000(6) 3_554 . . 1_565 ?
Sb1 Ca3A Ca3B Sb5 0.00(3) 3_554 . . 9_565 ?
Sb1 Ca3A Ca3B Sb5 0.00(2) 12_666 . . 1_565 ?
Sb1 Ca3A Ca3B Ca4 90.000(9) 3_554 . . 9_565 ?
Sb1 Ca3A Ca3B Ca4 -90.000(6) 12_666 . . 9_565 ?
Sb1 Ca3A Ca3B Ca4 90.000(7) 12_666 . . 1_565 ?
Sb1 Ca3A Ca3B Ca4 -90.000(9) 3_554 . . 1_565 ?
Sb3A Ca3A Ca3B Ca1 123.812(15) 7_565 . . 9_565 ?
Sb3A Ca3A Ca3B Ca1 -56.188(15) 9_565 . . 9_565 ?
Sb3A Ca3A Ca3B Al1 0.0 9_565 . . 9_565 ?
Sb3A Ca3A Ca3B Al1 180.0 7_565 . . 9_565 ?
Sb3A Ca3A Ca3B Al1 0.0 7_565 . . 1_565 ?
Sb3A Ca3A Ca3B Al1 180.0 9_565 . . 1_565 ?
Sb3A Ca3A Ca3B Sb3A 180.0 7_565 . . 9_565 ?
Sb3A Ca3A Ca3B Sb3A 180.0 9_565 . . 7_565 ?
Sb3A Ca3A Ca3B Sb3B 180.0 9_565 . . 7_565 ?
Sb3A Ca3A Ca3B Sb3B 0.0 7_565 . . 7_565 ?
Sb3A Ca3A Ca3B Sb3B 180.0 7_565 . . 9_565 ?
Sb3A Ca3A Ca3B Sb3B 0.0 9_565 . . 9_565 ?
Sb3A Ca3A Ca3B Sb5 90.000(16) 9_565 . . 1_565 ?
Sb3A Ca3A Ca3B Sb5 -90.000(16) 7_565 . . 1_565 ?
Sb3A Ca3A Ca3B Sb5 90.000(17) 7_565 . . 9_565 ?
Sb3A Ca3A Ca3B Sb5 -90.000(16) 9_565 . . 9_565 ?
Sb3A Ca3A Ca3B Ca4 180.0 7_565 . . 9_565 ?
Sb3A Ca3A Ca3B Ca4 0.0 9_565 . . 9_565 ?
Sb3A Ca3A Ca3B Ca4 0.0 7_565 . . 1_565 ?
Sb3A Ca3A Ca3B Ca4 180.0 9_565 . . 1_565 ?
Sb3B Ca3A Ca3B Ca1 -56.188(15) 9_565 . . 9_565 ?
Sb3B Ca3A Ca3B Ca1 123.812(15) 7_565 . . 9_565 ?
Sb3B Ca3A Ca3B Al1 180.0 7_565 . . 9_565 ?
Sb3B Ca3A Ca3B Al1 180.0 9_565 . . 1_565 ?
Sb3B Ca3A Ca3B Al1 0.0 9_565 . . 9_565 ?
Sb3B Ca3A Ca3B Al1 0.0 7_565 . . 1_565 ?
Sb3B Ca3A Ca3B Sb3A 0.0 7_565 . . 7_565 ?
Sb3B Ca3A Ca3B Sb3A 180.0 9_565 . . 7_565 ?
Sb3B Ca3A Ca3B Sb3A 180.0 7_565 . . 9_565 ?
Sb3B Ca3A Ca3B Sb3A 0.0 9_565 . . 9_565 ?
Sb3B Ca3A Ca3B Sb3B 180.0 7_565 . . 9_565 ?
Sb3B Ca3A Ca3B Sb3B 180.0 9_565 . . 7_565 ?
Sb3B Ca3A Ca3B Sb5 -90.000(16) 7_565 . . 1_565 ?
Sb3B Ca3A Ca3B Sb5 -90.000(16) 9_565 . . 9_565 ?
Sb3B Ca3A Ca3B Sb5 90.000(16) 9_565 . . 1_565 ?
Sb3B Ca3A Ca3B Sb5 90.000(17) 7_565 . . 9_565 ?
Sb3B Ca3A Ca3B Ca4 180.0 7_565 . . 9_565 ?
Sb3B Ca3A Ca3B Ca4 0.0 9_565 . . 9_565 ?
Sb3B Ca3A Ca3B Ca4 0.0 7_565 . . 1_565 ?
Sb3B Ca3A Ca3B Ca4 180.0 9_565 . . 1_565 ?
Sb3B Al1 Ca4 Ca3B 0.0 7 . . 1_545 ?
Sb3B Al1 Ca4 Ca3B 180.0 . . . 1_545 ?
Sb3B Al1 Ca4 Ca3B 0.0 . . . 9_565 ?
Sb3B Al1 Ca4 Ca3B 180.0 7 . . 9_565 ?
Sb3B Al1 Ca4 Sb2A -90.0 7 . . . ?
Sb3B Al1 Ca4 Sb2A -90.0 . . . 10 ?
Sb3B Al1 Ca4 Sb2A 90.000(0) 7 . . 10 ?
Sb3B Al1 Ca4 Sb2A 90.000(0) . . . . ?
Sb3B Al1 Ca4 Sb3A 0.0 . . . . ?
Sb3B Al1 Ca4 Sb3A 180.0 7 . . . ?
Sb3B Al1 Ca4 Sb3A 0.0 7 . . 7 ?
Sb3B Al1 Ca4 Sb3A 180.0 . . . 7 ?
Sb3B Al1 Ca4 Sb3B 180.0 7 . . . ?
Sb3B Al1 Ca4 Sb3B 180.0 . . . 7 ?
Sb3B Al1 Ca4 Sb5 90.000(0) 7 . . 9 ?
Sb3B Al1 Ca4 Sb5 -90.000(0) . . . 9 ?
Sb3B Al1 Ca4 Sb5 -90.000(0) 7 . . . ?
Sb3B Al1 Ca4 Sb5 90.0 . . . . ?
Sb5 Ca3A Ca3B Ca1 33.81(2) 9_565 . . 9_565 ?
Sb5 Ca3A Ca3B Ca1 -146.19(2) 1_565 . . 9_565 ?
Sb5 Ca3A Ca3B Al1 -90.00(2) 1_565 . . 9_565 ?
Sb5 Ca3A Ca3B Al1 90.00(2) 1_565 . . 1_565 ?
Sb5 Ca3A Ca3B Al1 -90.00(2) 9_565 . . 1_565 ?
Sb5 Ca3A Ca3B Al1 90.00(2) 9_565 . . 9_565 ?
Sb5 Ca3A Ca3B Sb3A -90.00(2) 1_565 . . 9_565 ?
Sb5 Ca3A Ca3B Sb3A -90.00(2) 9_565 . . 7_565 ?
Sb5 Ca3A Ca3B Sb3A 90.00(2) 1_565 . . 7_565 ?
Sb5 Ca3A Ca3B Sb3A 90.00(2) 9_565 . . 9_565 ?
Sb5 Ca3A Ca3B Sb3B 90.00(2) 9_565 . . 9_565 ?
Sb5 Ca3A Ca3B Sb3B 90.00(2) 1_565 . . 7_565 ?
Sb5 Ca3A Ca3B Sb3B -90.00(2) 9_565 . . 7_565 ?
Sb5 Ca3A Ca3B Sb3B -90.00(2) 1_565 . . 9_565 ?
Sb5 Ca3A Ca3B Sb5 180.00(4) 9_565 . . 1_565 ?
Sb5 Ca3A Ca3B Sb5 180.00(4) 1_565 . . 9_565 ?
Sb5 Ca3A Ca3B Ca4 90.00(2) 9_565 . . 9_565 ?
Sb5 Ca3A Ca3B Ca4 -90.00(2) 9_565 . . 1_565 ?
Sb5 Ca3A Ca3B Ca4 -90.00(2) 1_565 . . 9_565 ?
Sb5 Ca3A Ca3B Ca4 90.00(2) 1_565 . . 1_565 ?
Sb5 Al1 Ca4 Ca3B -90.000(0) . . . 9_565 ?
Sb5 Al1 Ca4 Ca3B 90.000(0) . . . 1_545 ?
Sb5 Al1 Ca4 Ca3B 90.000(0) 9 . . 9_565 ?
Sb5 Al1 Ca4 Ca3B -90.000(0) 9 . . 1_545 ?
Sb5 Al1 Ca4 Sb2A 180.0 . . . 10 ?
Sb5 Al1 Ca4 Sb2A 180.0 9 . . . ?
Sb5 Al1 Ca4 Sb2A 0.000(0) 9 . . 10 ?
Sb5 Al1 Ca4 Sb2A 0.000(0) . . . . ?
Sb5 Al1 Ca4 Sb3A -90.000(0) . . . . ?
Sb5 Al1 Ca4 Sb3A 90.000(0) 9 . . . ?
Sb5 Al1 Ca4 Sb3A 90.000(0) . . . 7 ?
Sb5 Al1 Ca4 Sb3A -90.000(0) 9 . . 7 ?
Sb5 Al1 Ca4 Sb3B -90.000(0) . . . . ?
Sb5 Al1 Ca4 Sb3B 90.000(0) . . . 7 ?
Sb5 Al1 Ca4 Sb3B -90.000(0) 9 . . 7 ?
Sb5 Al1 Ca4 Sb3B 90.000(0) 9 . . . ?
Sb5 Al1 Ca4 Sb5 180.000(0) . . . 9 ?
Sb5 Al1 Ca4 Sb5 180.000(0) 9 . . . ?
Ca4 Sb3A Sb3B Ca1 74.29(6) . . . 10 ?
Ca4 Sb3A Sb3B Ca1 -74.29(6) . . . . ?
Ca4 Sb3A Sb3B Ca2 146.309(19) . . . 3_554 ?
Ca4 Sb3A Sb3B Ca2 -146.309(19) . . . 12_666 ?
Ca4 Sb3A Sb3B Ca2 -89.6(5) . . . 11_566 ?
Ca4 Sb3A Sb3B Ca2 89.6(5) . . . 4_454 ?
Ca4 Sb3A Sb3B Ca3A 0.0 . . . 9_565 ?
Ca4 Sb3A Sb3B Ca3B 0.0 . . . 9_565 ?
Ca4 Sb3A Sb3B Ca5 180.0 . . . . ?
Ca4 Sb3A Sb3B Al1 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo_svib1779_0m
_database_code_depnum_ccdc_archive 'CCDC 2366310'
loop_
_audit_author_name
_audit_author_address
'Svilen Bobev'
;University of Delaware
United States of America
;
_audit_update_record             
;
2024-06-27 deposited with the CCDC.	2024-08-19 downloaded from the CCDC.
;
_audit_creation_date             2024-06-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ca10.943 Cd0.652 Sb9'
_chemical_formula_sum            'Ca10.95 Cd0.66 Sb9'
_chemical_formula_weight         1608.63
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           136
_space_group_name_H-M_alt        'P 42/m n m'
_space_group_name_Hall           '-P 4n 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y, x, -z'
'-y, -x, -z'
'-x, -y, -z'
'x, y, -z'
'y-1/2, -x-1/2, -z-1/2'
'-y-1/2, x-1/2, -z-1/2'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z-1/2'
'-y, -x, z'
'y, x, z'

_cell_length_a                   11.9100(3)
_cell_length_b                   11.9100(3)
_cell_length_c                   17.2327(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2444.43(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5054
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      3.38
_shelx_estimated_absorpt_T_max   0.476
_shelx_estimated_absorpt_T_min   0.297
_exptl_absorpt_coefficient_mu    12.619
_exptl_absorpt_correction_T_max  0.2627
_exptl_absorpt_correction_T_min  0.1808
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0829 before and 0.0497 after correction.
The Ratio of minimum to maximum transmission is 0.6882.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    4.371
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             2838
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3.00 2.00 3.00 0.0410
-2.00 5.00 -4.00 0.0600
-2.00 -1.00 -4.00 0.0420
-2.00 3.00 3.00 0.0410
-2.00 2.00 -5.00 0.0430
-1.00 -1.00 -1.00 0.0340
-1.00 -4.00 -3.00 0.0560
-1.00 5.00 3.00 0.0530
-1.00 -2.00 -5.00 0.0460
-1.00 0.00 5.00 0.0420
-1.00 -2.00 5.00 0.0400
0.00 -4.00 -1.00 0.0680
0.00 0.00 -1.00 0.0470
1.00 1.00 1.00 0.0340
1.00 -5.00 -3.00 0.0660
1.00 -1.00 2.00 0.0530
1.00 -2.00 -5.00 0.0500
1.00 0.00 -5.00 0.0490
1.00 2.00 -5.00 0.0600
2.00 1.00 4.00 0.0320
3.00 -2.00 -2.00 0.0670
4.00 3.00 -3.00 0.0540
4.00 0.00 1.00 0.0430
5.00 -4.00 5.00 0.0510

_exptl_crystal_size_max          0.127
_exptl_crystal_size_mid          0.114
_exptl_crystal_size_min          0.069
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17827
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.298
_diffrn_reflns_theta_min         2.079
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1530
_reflns_number_total             1674
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.031
_refine_diff_density_min         -1.015
_refine_diff_density_rms         0.190
_refine_ls_extinction_coef       0.00083(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     76
_refine_ls_number_reflns         1674
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0265
_refine_ls_restrained_S_all      1.233
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0106P)²+8.6649P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0471
_refine_ls_wR_factor_ref         0.0482
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(Sb3A) = Uanis(Sb3B)
2. Others
 Fixed Sof: Sb3A(0.275) Sb3B(0.225) Cd1(0.1125) Ca4(0.1375)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.21930(3) 0.21930(3) 0.31963(3) 0.01289(11) Uani 1 2 d S T P . .
Sb2 Sb 0.30651(3) 0.30651(3) 0.17241(3) 0.01845(12) Uani 1 2 d S T P . .
Sb3A Sb 0.00509(16) 0.3523(2) 0.000000 0.0098(3) Uani 0.55 2 d S T P . .
Sb3B Sb 0.0340(2) 0.3315(3) 0.000000 0.0098(3) Uani 0.45 2 d S T P . .
Sb4 Sb 0.37582(4) 0.62418(4) 0.000000 0.01709(16) Uani 1 4 d S T P . .
Sb5 Sb 0.000000 0.000000 0.13269(4) 0.01419(15) Uani 1 4 d S T P . .
Sb6 Sb 0.000000 0.500000 0.250000 0.00819(13) Uani 1 4 d S T P . .
Cd1 Cd 0.10058(11) 0.10058(11) 0.000000 0.0148(3) Uani 0.45 4 d S T P . .
Ca5 Ca 0.2992(4) 0.2992(4) 0.000000 0.0225(19) Uani 0.393(8) 4 d S T . . .
Cd2 Cd 0.3787(2) 0.3787(2) 0.000000 0.0159(12) Uani 0.202(3) 4 d S T . . .
Ca1 Ca 0.00841(8) 0.25199(8) 0.18850(5) 0.0136(2) Uani 1 1 d . . . . .
Ca2 Ca 0.01133(8) 0.33747(8) 0.39614(5) 0.0120(2) Uani 1 1 d . . . . .
Ca3 Ca 0.17976(12) 0.82024(12) 0.000000 0.0155(4) Uani 1 4 d S T P . .
Ca4 Ca 0.1576(3) 0.1576(3) 0.000000 0.0253(9) Uani 0.55 4 d S T P . .
Ca6 Ca 0.000000 0.000000 0.34583(14) 0.0247(5) Uani 1 4 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 Sb2 2.9316(6) . ?
Sb1 Ca1 3.4630(10) 12_666 ?
Sb1 Ca1 3.4630(10) 6 ?
Sb1 Ca1 3.4010(10) . ?
Sb1 Ca1 3.4010(10) 16 ?
Sb1 Ca2 3.1392(10) 16 ?
Sb1 Ca2 3.1392(10) . ?
Sb1 Ca3 3.5428(11) 11_566 ?
Sb1 Ca6 3.7212(6) . ?
Sb2 Ca5 2.9736(6) . ?
Sb2 Cd2 3.2106(15) . ?
Sb2 Ca1 3.4659(10) 12_666 ?
Sb2 Ca1 3.6199(11) . ?
Sb2 Ca1 3.4659(10) 6 ?
Sb2 Ca1 3.6199(11) 16 ?
Sb2 Ca2 3.2073(9) 12_666 ?
Sb2 Ca2 3.2073(9) 6 ?
Sb2 Ca6 3.2742(6) 11_666 ?
Sb3A Cd1 3.207(2) . ?
Sb3A Ca5 3.559(4) . ?
Sb3A Ca1 3.4615(12) . ?
Sb3A Ca1 3.4615(12) 10 ?
Sb3A Ca2 3.210(3) 12_666 ?
Sb3A Ca2 3.1345(13) 4_454 ?
Sb3A Ca2 3.210(3) 3_554 ?
Sb3A Ca2 3.1345(13) 11_566 ?
Sb3A Ca3 3.012(3) 9_565 ?
Sb3A Ca4 2.9459(15) . ?
Sb3B Cd1 2.862(3) . ?
Sb3B Ca5 3.181(5) . ?
Sb3B Ca1 3.3972(14) . ?
Sb3B Ca1 3.3972(14) 10 ?
Sb3B Ca2 3.184(3) 12_666 ?
Sb3B Ca2 3.4912(17) 4_454 ?
Sb3B Ca2 3.184(3) 3_554 ?
Sb3B Ca2 3.4912(17) 11_566 ?
Sb3B Ca3 3.122(4) 9_565 ?
Sb3B Ca4 2.541(2) . ?
Sb4 Cd2 2.923(3) 9_665 ?
Sb4 Cd2 2.923(3) . ?
Sb4 Ca2 3.3857(9) 3_554 ?
Sb4 Ca2 3.3857(9) 12_666 ?
Sb4 Ca2 3.3857(9) 14_665 ?
Sb4 Ca2 3.3857(9) 5 ?
Sb4 Ca3 3.302(2) . ?
Sb4 Ca6 3.381(2) 11_666 ?
Sb4 Ca6 3.381(2) 3_554 ?
Sb5 Cd1 2.8458(12) 9 ?
Sb5 Cd1 2.8458(12) . ?
Sb5 Ca1 3.1531(10) 15 ?
Sb5 Ca1 3.1531(10) . ?
Sb5 Ca1 3.1531(10) 2 ?
Sb5 Ca1 3.1531(10) 16 ?
Sb5 Ca3 3.7942(17) 9_565 ?
Sb5 Ca3 3.7942(17) 1_545 ?
Sb5 Ca4 3.503(4) . ?
Sb5 Ca4 3.503(4) 9 ?
Sb5 Ca6 3.673(3) . ?
Sb6 Ca1 3.1398(10) . ?
Sb6 Ca1 3.1398(10) 2_565 ?
Sb6 Ca1 3.1398(10) 11_566 ?
Sb6 Ca1 3.1398(10) 12_666 ?
Sb6 Ca2 3.1793(9) 11_566 ?
Sb6 Ca2 3.1792(9) . ?
Sb6 Ca2 3.1793(9) 2_565 ?
Sb6 Ca2 3.1793(9) 12_666 ?
Cd1 Cd1 3.388(4) 9 ?
Cd1 Ca5 3.345(7) . ?
Cd1 Ca1 3.8741(10) . ?
Cd1 Ca3 3.469(2) 9_565 ?
Cd1 Ca3 3.469(2) 1_545 ?
Cd1 Ca4 0.960(5) . ?
Ca5 Cd2 1.340(7) . ?
Ca5 Ca2 3.4981(15) 12_666 ?
Ca5 Ca2 3.4981(15) 3_554 ?
Ca5 Ca2 3.4981(15) 6 ?
Ca5 Ca2 3.4981(15) 13_665 ?
Ca5 Ca4 2.385(9) . ?
Cd2 Ca2 3.5111(12) 12_666 ?
Cd2 Ca2 3.5111(12) 6 ?
Cd2 Ca2 3.5111(12) 13_665 ?
Cd2 Ca2 3.5111(12) 3_554 ?
Cd2 Ca4 3.725(7) . ?
Cd2 Ca6 3.351(3) 3_554 ?
Cd2 Ca6 3.351(3) 11_666 ?
Ca1 Ca2 3.7708(13) 11_566 ?
Ca1 Ca2 3.7204(13) . ?
Ca1 Ca4 3.8695(11) . ?
Ca2 Ca2 3.5795(18) 10_556 ?
Ca3 Ca4 4.026(4) 9_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Sb2 Sb1 Ca1 69.27(2) . . ?
Sb2 Sb1 Ca1 65.021(19) . 6 ?
Sb2 Sb1 Ca1 69.27(2) . 16 ?
Sb2 Sb1 Ca1 65.021(19) . 12_666 ?
Sb2 Sb1 Ca2 118.959(18) . . ?
Sb2 Sb1 Ca2 118.959(18) . 16 ?
Sb2 Sb1 Ca3 121.25(3) . 11_566 ?
Sb2 Sb1 Ca6 127.04(4) . . ?
Ca1 Sb1 Ca1 86.11(3) 16 6 ?
Ca1 Sb1 Ca1 78.58(3) 12_666 6 ?
Ca1 Sb1 Ca1 74.19(3) . 16 ?
Ca1 Sb1 Ca1 134.116(17) 16 12_666 ?
Ca1 Sb1 Ca1 86.11(3) . 12_666 ?
Ca1 Sb1 Ca1 134.116(17) . 6 ?
Ca1 Sb1 Ca3 142.626(17) . 11_566 ?
Ca1 Sb1 Ca3 70.40(3) 6 11_566 ?
Ca1 Sb1 Ca3 70.40(3) 12_666 11_566 ?
Ca1 Sb1 Ca3 142.626(17) 16 11_566 ?
Ca1 Sb1 Ca6 69.06(3) 16 . ?
Ca1 Sb1 Ca6 140.543(17) 6 . ?
Ca1 Sb1 Ca6 69.06(3) . . ?
Ca1 Sb1 Ca6 140.543(17) 12_666 . ?
Ca2 Sb1 Ca1 134.47(3) 16 . ?
Ca2 Sb1 Ca1 139.22(3) 16 12_666 ?
Ca2 Sb1 Ca1 134.47(3) . 16 ?
Ca2 Sb1 Ca1 69.21(2) . . ?
Ca2 Sb1 Ca1 69.46(2) . 12_666 ?
Ca2 Sb1 Ca1 69.21(2) 16 16 ?
Ca2 Sb1 Ca1 69.46(2) 16 6 ?
Ca2 Sb1 Ca1 139.22(3) . 6 ?
Ca2 Sb1 Ca2 122.08(4) . 16 ?
Ca2 Sb1 Ca3 75.35(2) . 11_566 ?
Ca2 Sb1 Ca3 75.35(2) 16 11_566 ?
Ca2 Sb1 Ca6 73.14(2) . . ?
Ca2 Sb1 Ca6 73.14(2) 16 . ?
Ca3 Sb1 Ca6 111.71(5) 11_566 . ?
Sb1 Sb2 Ca5 147.55(13) . . ?
Sb1 Sb2 Cd2 172.20(7) . . ?
Sb1 Sb2 Ca1 64.919(19) . 12_666 ?
Sb1 Sb2 Ca1 61.488(18) . 16 ?
Sb1 Sb2 Ca1 64.919(19) . 6 ?
Sb1 Sb2 Ca1 61.488(18) . . ?
Sb1 Sb2 Ca2 113.503(18) . 6 ?
Sb1 Sb2 Ca2 113.503(18) . 12_666 ?
Sb1 Sb2 Ca6 125.58(5) . 11_666 ?
Ca5 Sb2 Cd2 24.65(13) . . ?
Ca5 Sb2 Ca1 134.87(6) . 12_666 ?
Ca5 Sb2 Ca1 92.43(11) . . ?
Ca5 Sb2 Ca1 92.43(10) . 16 ?
Ca5 Sb2 Ca1 134.87(6) . 6 ?
Ca5 Sb2 Ca2 68.82(3) . 6 ?
Ca5 Sb2 Ca2 68.82(3) . 12_666 ?
Ca5 Sb2 Ca6 86.87(13) . 11_666 ?
Cd2 Sb2 Ca1 112.45(5) . 16 ?
Cd2 Sb2 Ca1 112.45(5) . . ?
Cd2 Sb2 Ca1 120.52(5) . 12_666 ?
Cd2 Sb2 Ca1 120.52(5) . 6 ?
Cd2 Sb2 Ca6 62.22(8) . 11_666 ?
Ca1 Sb2 Ca1 126.258(16) 12_666 16 ?
Ca1 Sb2 Ca1 78.50(3) 12_666 6 ?
Ca1 Sb2 Ca1 82.78(3) 6 16 ?
Ca1 Sb2 Ca1 69.04(3) . 16 ?
Ca1 Sb2 Ca1 126.258(16) 6 . ?
Ca1 Sb2 Ca1 82.78(3) 12_666 . ?
Ca2 Sb2 Cd2 66.335(18) 6 . ?
Ca2 Sb2 Cd2 66.335(18) 12_666 . ?
Ca2 Sb2 Ca1 141.13(3) 12_666 6 ?
Ca2 Sb2 Ca1 132.71(3) 6 . ?
Ca2 Sb2 Ca1 141.13(3) 6 12_666 ?
Ca2 Sb2 Ca1 67.64(2) 12_666 12_666 ?
Ca2 Sb2 Ca1 132.71(3) 12_666 16 ?
Ca2 Sb2 Ca1 68.92(2) 12_666 . ?
Ca2 Sb2 Ca1 67.64(2) 6 6 ?
Ca2 Sb2 Ca1 68.92(2) 6 16 ?
Ca2 Sb2 Ca2 132.66(4) 6 12_666 ?
Ca2 Sb2 Ca6 78.79(2) 6 11_666 ?
Ca2 Sb2 Ca6 78.79(2) 12_666 11_666 ?
Ca6 Sb2 Ca1 145.480(16) 11_666 16 ?
Ca6 Sb2 Ca1 73.71(4) 11_666 12_666 ?
Ca6 Sb2 Ca1 145.480(16) 11_666 . ?
Ca6 Sb2 Ca1 73.71(4) 11_666 6 ?
Cd1 Sb3A Ca5 58.98(9) . . ?
Cd1 Sb3A Ca1 70.92(4) . . ?
Cd1 Sb3A Ca1 70.92(4) . 10 ?
Cd1 Sb3A Ca2 110.14(5) . 3_554 ?
Cd1 Sb3A Ca2 110.14(5) . 12_666 ?
Ca1 Sb3A Ca5 85.83(4) . . ?
Ca1 Sb3A Ca5 85.83(4) 10 . ?
Ca1 Sb3A Ca1 139.58(8) 10 . ?
Ca2 Sb3A Cd1 135.25(7) 4_454 . ?
Ca2 Sb3A Cd1 135.25(7) 11_566 . ?
Ca2 Sb3A Ca5 61.98(8) 12_666 . ?
Ca2 Sb3A Ca5 135.96(8) 4_454 . ?
Ca2 Sb3A Ca5 135.96(8) 11_566 . ?
Ca2 Sb3A Ca5 61.98(8) 3_554 . ?
Ca2 Sb3A Ca1 136.07(7) 3_554 . ?
Ca2 Sb3A Ca1 69.53(3) 4_454 10 ?
Ca2 Sb3A Ca1 136.21(5) 11_566 10 ?
Ca2 Sb3A Ca1 136.22(5) 4_454 . ?
Ca2 Sb3A Ca1 70.96(3) 3_554 10 ?
Ca2 Sb3A Ca1 70.96(3) 12_666 . ?
Ca2 Sb3A Ca1 69.53(3) 11_566 . ?
Ca2 Sb3A Ca1 136.07(7) 12_666 10 ?
Ca2 Sb3A Ca2 69.64(4) 4_454 11_566 ?
Ca2 Sb3A Ca2 112.63(7) 11_566 3_554 ?
Ca2 Sb3A Ca2 75.41(5) 4_454 3_554 ?
Ca2 Sb3A Ca2 67.77(7) 12_666 3_554 ?
Ca2 Sb3A Ca2 75.41(5) 11_566 12_666 ?
Ca2 Sb3A Ca2 112.63(7) 4_454 12_666 ?
Ca3 Sb3A Cd1 67.74(7) 9_565 . ?
Ca3 Sb3A Ca5 126.72(11) 9_565 . ?
Ca3 Sb3A Ca1 76.86(5) 9_565 10 ?
Ca3 Sb3A Ca1 76.86(5) 9_565 . ?
Ca3 Sb3A Ca2 146.05(3) 9_565 3_554 ?
Ca3 Sb3A Ca2 83.57(6) 9_565 4_454 ?
Ca3 Sb3A Ca2 83.57(6) 9_565 11_566 ?
Ca3 Sb3A Ca2 146.05(3) 9_565 12_666 ?
Ca4 Sb3A Cd1 17.29(10) . . ?
Ca4 Sb3A Ca5 41.69(14) . . ?
Ca4 Sb3A Ca1 73.81(4) . . ?
Ca4 Sb3A Ca1 73.81(4) . 10 ?
Ca4 Sb3A Ca2 95.99(10) . 3_554 ?
Ca4 Sb3A Ca2 95.99(10) . 12_666 ?
Ca4 Sb3A Ca2 143.18(5) . 4_454 ?
Ca4 Sb3A Ca2 143.18(5) . 11_566 ?
Ca4 Sb3A Ca3 85.03(13) . 9_565 ?
Cd1 Sb3B Ca5 66.97(10) . . ?
Cd1 Sb3B Ca1 75.95(5) . 10 ?
Cd1 Sb3B Ca1 75.95(5) . . ?
Cd1 Sb3B Ca2 120.89(6) . 3_554 ?
Cd1 Sb3B Ca2 134.52(9) . 4_454 ?
Cd1 Sb3B Ca2 120.89(6) . 12_666 ?
Cd1 Sb3B Ca2 134.52(9) . 11_566 ?
Cd1 Sb3B Ca3 70.73(9) . 9_565 ?
Ca5 Sb3B Ca1 93.18(4) . . ?
Ca5 Sb3B Ca1 93.18(4) . 10 ?
Ca5 Sb3B Ca2 66.68(10) . 12_666 ?
Ca5 Sb3B Ca2 136.92(11) . 11_566 ?
Ca5 Sb3B Ca2 136.92(11) . 4_454 ?
Ca5 Sb3B Ca2 66.68(10) . 3_554 ?
Ca1 Sb3B Ca1 145.96(12) 10 . ?
Ca1 Sb3B Ca2 125.41(6) 10 11_566 ?
Ca1 Sb3B Ca2 125.41(6) . 4_454 ?
Ca1 Sb3B Ca2 66.36(3) . 11_566 ?
Ca1 Sb3B Ca2 66.36(3) 10 4_454 ?
Ca2 Sb3B Ca1 140.19(10) 12_666 10 ?
Ca2 Sb3B Ca1 140.19(10) 3_554 . ?
Ca2 Sb3B Ca1 72.13(3) 12_666 . ?
Ca2 Sb3B Ca1 72.13(3) 3_554 10 ?
Ca2 Sb3B Ca2 68.41(8) 12_666 3_554 ?
Ca2 Sb3B Ca2 104.46(8) 3_554 11_566 ?
Ca2 Sb3B Ca2 70.93(5) 12_666 11_566 ?
Ca2 Sb3B Ca2 61.68(4) 4_454 11_566 ?
Ca2 Sb3B Ca2 104.46(8) 12_666 4_454 ?
Ca2 Sb3B Ca2 70.93(5) 3_554 4_454 ?
Ca3 Sb3B Ca5 137.70(13) 9_565 . ?
Ca3 Sb3B Ca1 76.44(6) 9_565 10 ?
Ca3 Sb3B Ca1 76.44(6) 9_565 . ?
Ca3 Sb3B Ca2 141.40(4) 9_565 12_666 ?
Ca3 Sb3B Ca2 76.33(6) 9_565 11_566 ?
Ca3 Sb3B Ca2 76.33(6) 9_565 4_454 ?
Ca3 Sb3B Ca2 141.40(4) 9_565 3_554 ?
Ca4 Sb3B Cd1 19.31(11) . . ?
Ca4 Sb3B Ca5 47.66(16) . . ?
Ca4 Sb3B Ca1 79.92(5) . . ?
Ca4 Sb3B Ca1 79.92(5) . 10 ?
Ca4 Sb3B Ca2 105.66(12) . 12_666 ?
Ca4 Sb3B Ca2 105.66(12) . 3_554 ?
Ca4 Sb3B Ca2 145.65(8) . 4_454 ?
Ca4 Sb3B Ca2 145.65(8) . 11_566 ?
Ca4 Sb3B Ca3 90.04(16) . 9_565 ?
Cd2 Sb4 Cd2 88.63(11) 9_665 . ?
Cd2 Sb4 Ca2 138.20(4) 9_665 12_666 ?
Cd2 Sb4 Ca2 67.17(5) . 12_666 ?
Cd2 Sb4 Ca2 138.20(4) . 14_665 ?
Cd2 Sb4 Ca2 67.17(5) 9_665 5 ?
Cd2 Sb4 Ca2 138.20(4) . 5 ?
Cd2 Sb4 Ca2 67.17(5) 9_665 14_665 ?
Cd2 Sb4 Ca2 138.20(4) 9_665 3_554 ?
Cd2 Sb4 Ca2 67.17(5) . 3_554 ?
Cd2 Sb4 Ca3 135.68(5) . . ?
Cd2 Sb4 Ca3 135.68(5) 9_665 . ?
Cd2 Sb4 Ca6 63.73(3) . 3_554 ?
Cd2 Sb4 Ca6 63.73(3) . 11_666 ?
Cd2 Sb4 Ca6 63.73(3) 9_665 11_666 ?
Cd2 Sb4 Ca6 63.73(3) 9_665 3_554 ?
Ca2 Sb4 Ca2 63.82(3) 5 14_665 ?
Ca2 Sb4 Ca2 108.44(3) 3_554 14_665 ?
Ca2 Sb4 Ca2 63.82(3) 3_554 12_666 ?
Ca2 Sb4 Ca2 151.06(4) 14_665 12_666 ?
Ca2 Sb4 Ca2 151.06(4) 3_554 5 ?
Ca2 Sb4 Ca2 108.44(3) 5 12_666 ?
Ca3 Sb4 Ca2 75.531(19) . 3_554 ?
Ca3 Sb4 Ca2 75.531(19) . 12_666 ?
Ca3 Sb4 Ca2 75.531(19) . 5 ?
Ca3 Sb4 Ca2 75.531(19) . 14_665 ?
Ca3 Sb4 Ca6 128.21(3) . 3_554 ?
Ca3 Sb4 Ca6 128.21(3) . 11_666 ?
Ca6 Sb4 Ca2 124.743(18) 11_666 3_554 ?
Ca6 Sb4 Ca2 74.88(2) 11_666 5 ?
Ca6 Sb4 Ca2 74.88(2) 3_554 3_554 ?
Ca6 Sb4 Ca2 124.743(18) 11_666 14_665 ?
Ca6 Sb4 Ca2 124.743(18) 3_554 5 ?
Ca6 Sb4 Ca2 74.88(2) 3_554 14_665 ?
Ca6 Sb4 Ca2 74.88(2) 11_666 12_666 ?
Ca6 Sb4 Ca2 124.743(18) 3_554 12_666 ?
Ca6 Sb4 Ca6 103.57(6) 11_666 3_554 ?
Cd1 Sb5 Cd1 73.07(6) 9 . ?
Cd1 Sb5 Ca1 131.23(3) . 2 ?
Cd1 Sb5 Ca1 131.23(3) 9 . ?
Cd1 Sb5 Ca1 131.23(3) . 15 ?
Cd1 Sb5 Ca1 80.27(3) . . ?
Cd1 Sb5 Ca1 80.27(3) 9 2 ?
Cd1 Sb5 Ca1 131.23(3) 9 16 ?
Cd1 Sb5 Ca1 80.27(3) 9 15 ?
Cd1 Sb5 Ca1 80.27(3) . 16 ?
Cd1 Sb5 Ca3 61.04(2) . 9_565 ?
Cd1 Sb5 Ca3 61.04(2) . 1_545 ?
Cd1 Sb5 Ca3 61.04(2) 9 1_545 ?
Cd1 Sb5 Ca3 61.04(2) 9 9_565 ?
Cd1 Sb5 Ca4 12.72(5) . . ?
Cd1 Sb5 Ca4 12.72(5) 9 9 ?
Cd1 Sb5 Ca4 85.79(8) 9 . ?
Cd1 Sb5 Ca4 85.79(8) . 9 ?
Cd1 Sb5 Ca6 143.47(3) 9 . ?
Cd1 Sb5 Ca6 143.47(3) . . ?
Ca1 Sb5 Ca1 88.13(4) 16 2 ?
Ca1 Sb5 Ca1 144.48(4) . 2 ?
Ca1 Sb5 Ca1 81.17(4) 15 2 ?
Ca1 Sb5 Ca1 88.13(4) . 15 ?
Ca1 Sb5 Ca1 81.17(4) . 16 ?
Ca1 Sb5 Ca1 144.48(4) 16 15 ?
Ca1 Sb5 Ca3 70.41(2) 2 1_545 ?
Ca1 Sb5 Ca3 134.668(19) 16 9_565 ?
Ca1 Sb5 Ca3 134.668(19) 15 1_545 ?
Ca1 Sb5 Ca3 134.667(19) . 1_545 ?
Ca1 Sb5 Ca3 134.668(19) 2 9_565 ?
Ca1 Sb5 Ca3 70.41(2) 16 1_545 ?
Ca1 Sb5 Ca3 70.41(2) . 9_565 ?
Ca1 Sb5 Ca3 70.41(2) 15 9_565 ?
Ca1 Sb5 Ca4 136.55(3) . 9 ?
Ca1 Sb5 Ca4 136.55(3) 15 . ?
Ca1 Sb5 Ca4 70.86(5) 15 9 ?
Ca1 Sb5 Ca4 136.55(3) 16 9 ?
Ca1 Sb5 Ca4 136.55(3) 2 . ?
Ca1 Sb5 Ca4 70.86(5) . . ?
Ca1 Sb5 Ca4 70.86(5) 16 . ?
Ca1 Sb5 Ca4 70.86(5) 2 9 ?
Ca1 Sb5 Ca6 72.24(2) 2 . ?
Ca1 Sb5 Ca6 72.24(2) 16 . ?
Ca1 Sb5 Ca6 72.24(2) 15 . ?
Ca1 Sb5 Ca6 72.24(2) . . ?
Ca3 Sb5 Ca3 105.88(4) 1_545 9_565 ?
Ca4 Sb5 Ca3 66.84(3) 9 1_545 ?
Ca4 Sb5 Ca3 66.84(3) . 1_545 ?
Ca4 Sb5 Ca3 66.84(3) 9 9_565 ?
Ca4 Sb5 Ca3 66.84(3) . 9_565 ?
Ca4 Sb5 Ca4 98.51(12) 9 . ?
Ca4 Sb5 Ca6 130.75(6) . . ?
Ca4 Sb5 Ca6 130.75(6) 9 . ?
Ca6 Sb5 Ca3 127.06(2) . 1_545 ?
Ca6 Sb5 Ca3 127.06(2) . 9_565 ?
Ca1 Sb6 Ca1 96.542(11) 2_565 11_566 ?
Ca1 Sb6 Ca1 140.55(3) 2_565 . ?
Ca1 Sb6 Ca1 96.542(11) 12_666 2_565 ?
Ca1 Sb6 Ca1 96.542(11) 11_566 . ?
Ca1 Sb6 Ca1 96.541(11) 12_666 . ?
Ca1 Sb6 Ca1 140.55(3) 12_666 11_566 ?
Ca1 Sb6 Ca2 75.71(2) 11_566 . ?
Ca1 Sb6 Ca2 73.27(2) 11_566 2_565 ?
Ca1 Sb6 Ca2 147.30(2) 11_566 12_666 ?
Ca1 Sb6 Ca2 72.14(2) . . ?
Ca1 Sb6 Ca2 72.14(2) 12_666 12_666 ?
Ca1 Sb6 Ca2 147.30(2) 12_666 11_566 ?
Ca1 Sb6 Ca2 147.30(2) 2_565 . ?
Ca1 Sb6 Ca2 75.71(2) 2_565 11_566 ?
Ca1 Sb6 Ca2 73.27(2) 12_666 . ?
Ca1 Sb6 Ca2 72.14(2) 11_566 11_566 ?
Ca1 Sb6 Ca2 73.27(2) 2_565 12_666 ?
Ca1 Sb6 Ca2 73.27(2) . 11_566 ?
Ca1 Sb6 Ca2 75.71(2) . 12_666 ?
Ca1 Sb6 Ca2 75.71(2) 12_666 2_565 ?
Ca1 Sb6 Ca2 72.14(2) 2_565 2_565 ?
Ca1 Sb6 Ca2 147.30(2) . 2_565 ?
Ca2 Sb6 Ca2 75.23(3) . 2_565 ?
Ca2 Sb6 Ca2 128.87(2) . 11_566 ?
Ca2 Sb6 Ca2 75.23(3) 11_566 12_666 ?
Ca2 Sb6 Ca2 128.87(2) 11_566 2_565 ?
Ca2 Sb6 Ca2 128.87(2) . 12_666 ?
Ca2 Sb6 Ca2 128.87(2) 2_565 12_666 ?
Sb3A Cd1 Sb3A 131.54(11) . 7 ?
Sb3A Cd1 Cd1 114.23(5) . 9 ?
Sb3A Cd1 Cd1 114.23(5) 7 9 ?
Sb3A Cd1 Ca5 65.77(5) 7 . ?
Sb3A Cd1 Ca5 65.77(5) . . ?
Sb3A Cd1 Ca1 115.47(3) 7 . ?
Sb3A Cd1 Ca1 57.609(17) . . ?
Sb3A Cd1 Ca3 53.46(5) 7 1_545 ?
Sb3A Cd1 Ca3 175.00(8) . 1_545 ?
Sb3A Cd1 Ca3 175.00(8) 7 9_565 ?
Sb3A Cd1 Ca3 53.46(5) . 9_565 ?
Sb3B Cd1 Sb3A 4.69(10) . . ?
Sb3B Cd1 Sb3A 126.86(7) . 7 ?
Sb3B Cd1 Sb3A 4.69(10) 7 7 ?
Sb3B Cd1 Sb3A 126.86(7) 7 . ?
Sb3B Cd1 Sb3B 122.17(14) . 7 ?
Sb3B Cd1 Cd1 118.91(7) . 9 ?
Sb3B Cd1 Cd1 118.92(7) 7 9 ?
Sb3B Cd1 Ca5 61.09(7) . . ?
Sb3B Cd1 Ca5 61.08(7) 7 . ?
Sb3B Cd1 Ca1 113.66(4) 7 . ?
Sb3B Cd1 Ca1 58.282(19) . . ?
Sb3B Cd1 Ca3 179.69(9) 7 9_565 ?
Sb3B Cd1 Ca3 58.14(6) 7 1_545 ?
Sb3B Cd1 Ca3 58.14(6) . 9_565 ?
Sb3B Cd1 Ca3 179.69(9) . 1_545 ?
Sb5 Cd1 Sb3A 104.14(3) 9 7 ?
Sb5 Cd1 Sb3A 104.14(3) . 7 ?
Sb5 Cd1 Sb3A 104.14(3) 9 . ?
Sb5 Cd1 Sb3A 104.14(3) . . ?
Sb5 Cd1 Sb3B 106.73(3) . . ?
Sb5 Cd1 Sb3B 106.73(3) 9 7 ?
Sb5 Cd1 Sb3B 106.73(3) . 7 ?
Sb5 Cd1 Sb3B 106.73(3) 9 . ?
Sb5 Cd1 Sb5 106.93(6) . 9 ?
Sb5 Cd1 Cd1 53.47(3) . 9 ?
Sb5 Cd1 Cd1 53.47(3) 9 9 ?
Sb5 Cd1 Ca5 126.53(3) . . ?
Sb5 Cd1 Ca5 126.53(3) 9 . ?
Sb5 Cd1 Ca1 138.62(4) 9 . ?
Sb5 Cd1 Ca1 53.339(15) . . ?
Sb5 Cd1 Ca3 73.10(3) . 1_545 ?
Sb5 Cd1 Ca3 73.10(3) 9 1_545 ?
Sb5 Cd1 Ca3 73.10(3) 9 9_565 ?
Sb5 Cd1 Ca3 73.10(3) . 9_565 ?
Cd1 Cd1 Ca1 97.40(3) 9 . ?
Cd1 Cd1 Ca3 60.77(3) 9 9_565 ?
Cd1 Cd1 Ca3 60.77(3) 9 1_545 ?
Ca5 Cd1 Cd1 180.00(3) . 9 ?
Ca5 Cd1 Ca1 82.60(3) . . ?
Ca5 Cd1 Ca3 119.23(3) . 9_565 ?
Ca5 Cd1 Ca3 119.23(3) . 1_545 ?
Ca3 Cd1 Ca1 121.66(2) 1_545 . ?
Ca3 Cd1 Ca1 66.471(17) 9_565 . ?
Ca3 Cd1 Ca3 121.54(6) 9_565 1_545 ?
Ca4 Cd1 Sb3A 65.77(5) . 7 ?
Ca4 Cd1 Sb3A 65.77(5) . . ?
Ca4 Cd1 Sb3B 61.09(7) . . ?
Ca4 Cd1 Sb3B 61.08(7) . 7 ?
Ca4 Cd1 Sb5 126.53(3) . . ?
Ca4 Cd1 Sb5 126.53(3) . 9 ?
Ca4 Cd1 Cd1 180.0(3) . 9 ?
Ca4 Cd1 Ca5 0.0(3) . . ?
Ca4 Cd1 Ca1 82.60(3) . . ?
Ca4 Cd1 Ca3 119.23(3) . 1_545 ?
Ca4 Cd1 Ca3 119.23(3) . 9_565 ?
Sb2 Ca5 Sb2 175.2(3) 10 . ?
Sb2 Ca5 Sb3A 91.36(7) . . ?
Sb2 Ca5 Sb3A 91.36(7) 10 . ?
Sb2 Ca5 Sb3B 91.47(7) 10 7 ?
Sb2 Ca5 Sb3B 91.47(7) . 7 ?
Sb2 Ca5 Sb3B 91.47(7) 10 . ?
Sb2 Ca5 Sb3B 91.47(7) . . ?
Sb2 Ca5 Cd1 92.38(13) 10 . ?
Sb2 Ca5 Cd1 92.38(13) . . ?
Sb2 Ca5 Ca2 120.24(5) . 3_554 ?
Sb2 Ca5 Ca2 120.24(5) . 13_665 ?
Sb2 Ca5 Ca2 58.75(2) . 12_666 ?
Sb2 Ca5 Ca2 120.24(5) 10 6 ?
Sb2 Ca5 Ca2 58.75(2) 10 3_554 ?
Sb2 Ca5 Ca2 58.75(2) . 6 ?
Sb2 Ca5 Ca2 120.24(5) 10 12_666 ?
Sb2 Ca5 Ca2 58.75(2) 10 13_665 ?
Sb3B Ca5 Sb3A 107.19(18) 7 . ?
Sb3B Ca5 Sb3A 3.31(10) . . ?
Sb3B Ca5 Sb3B 103.9(2) 7 . ?
Sb3B Ca5 Cd1 51.94(11) 7 . ?
Sb3B Ca5 Cd1 51.94(11) . . ?
Sb3B Ca5 Ca2 56.69(5) 7 6 ?
Sb3B Ca5 Ca2 140.65(14) 7 3_554 ?
Sb3B Ca5 Ca2 140.65(14) . 6 ?
Sb3B Ca5 Ca2 56.69(5) . 3_554 ?
Sb3B Ca5 Ca2 56.69(5) . 12_666 ?
Sb3B Ca5 Ca2 140.65(14) 7 12_666 ?
Sb3B Ca5 Ca2 140.65(14) . 13_665 ?
Sb3B Ca5 Ca2 56.69(5) 7 13_665 ?
Cd1 Ca5 Sb3A 55.25(10) . . ?
Cd1 Ca5 Ca2 100.48(10) . 12_666 ?
Cd1 Ca5 Ca2 100.48(10) . 3_554 ?
Cd1 Ca5 Ca2 100.48(10) . 13_665 ?
Cd1 Ca5 Ca2 100.48(11) . 6 ?
Cd2 Ca5 Sb2 87.62(13) . . ?
Cd2 Ca5 Sb2 87.62(13) . 10 ?
Cd2 Ca5 Sb3A 124.75(10) . . ?
Cd2 Ca5 Sb3B 128.06(11) . . ?
Cd2 Ca5 Sb3B 128.06(11) . 7 ?
Cd2 Ca5 Cd1 180.0(4) . . ?
Cd2 Ca5 Ca2 79.52(10) . 13_665 ?
Cd2 Ca5 Ca2 79.52(10) . 3_554 ?
Cd2 Ca5 Ca2 79.52(10) . 12_666 ?
Cd2 Ca5 Ca2 79.52(10) . 6 ?
Cd2 Ca5 Ca4 180.0(4) . . ?
Ca2 Ca5 Sb3A 142.52(12) 6 . ?
Ca2 Ca5 Sb3A 142.52(12) 13_665 . ?
Ca2 Ca5 Sb3A 54.10(4) 12_666 . ?
Ca2 Ca5 Sb3A 54.10(4) 3_554 . ?
Ca2 Ca5 Ca2 61.55(4) 12_666 3_554 ?
Ca2 Ca5 Ca2 114.23(7) 13_665 3_554 ?
Ca2 Ca5 Ca2 159.0(2) 12_666 13_665 ?
Ca2 Ca5 Ca2 114.23(7) 6 12_666 ?
Ca2 Ca5 Ca2 61.55(4) 6 13_665 ?
Ca2 Ca5 Ca2 159.0(2) 6 3_554 ?
Ca4 Ca5 Sb2 92.38(13) . . ?
Ca4 Ca5 Sb2 92.38(13) . 10 ?
Ca4 Ca5 Sb3A 55.25(10) . . ?
Ca4 Ca5 Sb3B 51.94(11) . . ?
Ca4 Ca5 Sb3B 51.94(11) . 7 ?
Ca4 Ca5 Cd1 0.00(16) . . ?
Ca4 Ca5 Ca2 100.48(10) . 12_666 ?
Ca4 Ca5 Ca2 100.48(10) . 3_554 ?
Ca4 Ca5 Ca2 100.48(10) . 13_665 ?
Ca4 Ca5 Ca2 100.48(10) . 6 ?
Sb2 Cd2 Sb2 135.46(13) 10 . ?
Sb2 Cd2 Ca2 56.79(2) 10 3_554 ?
Sb2 Cd2 Ca2 113.31(6) 10 12_666 ?
Sb2 Cd2 Ca2 113.31(6) 10 6 ?
Sb2 Cd2 Ca2 113.31(6) . 3_554 ?
Sb2 Cd2 Ca2 56.79(2) . 12_666 ?
Sb2 Cd2 Ca2 56.79(2) 10 13_665 ?
Sb2 Cd2 Ca2 113.31(6) . 13_665 ?
Sb2 Cd2 Ca2 56.79(2) . 6 ?
Sb2 Cd2 Ca4 67.73(6) . . ?
Sb2 Cd2 Ca4 67.73(6) 10 . ?
Sb2 Cd2 Ca6 59.82(3) 10 3_554 ?
Sb2 Cd2 Ca6 59.82(3) . 11_666 ?
Sb2 Cd2 Ca6 164.72(12) . 3_554 ?
Sb2 Cd2 Ca6 164.72(12) 10 11_666 ?
Sb4 Cd2 Sb2 105.35(3) . . ?
Sb4 Cd2 Sb2 105.35(3) 9_665 . ?
Sb4 Cd2 Sb2 105.35(3) 9_665 10 ?
Sb4 Cd2 Sb2 105.35(3) . 10 ?
Sb4 Cd2 Sb4 91.36(11) 9_665 . ?
Sb4 Cd2 Ca2 62.71(2) . 12_666 ?
Sb4 Cd2 Ca2 62.71(2) . 3_554 ?
Sb4 Cd2 Ca2 137.62(9) . 6 ?
Sb4 Cd2 Ca2 62.71(2) 9_665 13_665 ?
Sb4 Cd2 Ca2 62.71(2) 9_665 6 ?
Sb4 Cd2 Ca2 137.62(9) 9_665 3_554 ?
Sb4 Cd2 Ca2 137.62(9) . 13_665 ?
Sb4 Cd2 Ca2 137.62(9) 9_665 12_666 ?
Sb4 Cd2 Ca4 134.32(5) 9_665 . ?
Sb4 Cd2 Ca4 134.32(5) . . ?
Sb4 Cd2 Ca6 64.80(6) . 11_666 ?
Sb4 Cd2 Ca6 64.80(6) 9_665 11_666 ?
Sb4 Cd2 Ca6 64.80(6) . 3_554 ?
Sb4 Cd2 Ca6 64.80(6) 9_665 3_554 ?
Ca5 Cd2 Sb2 67.73(6) . . ?
Ca5 Cd2 Sb2 67.73(6) . 10 ?
Ca5 Cd2 Sb4 134.32(5) . . ?
Ca5 Cd2 Sb4 134.32(5) . 9_665 ?
Ca5 Cd2 Ca2 78.43(6) . 13_665 ?
Ca5 Cd2 Ca2 78.43(6) . 3_554 ?
Ca5 Cd2 Ca2 78.43(6) . 12_666 ?
Ca5 Cd2 Ca2 78.43(6) . 6 ?
Ca5 Cd2 Ca4 0.0(3) . . ?
Ca5 Cd2 Ca6 127.55(6) . 11_666 ?
Ca5 Cd2 Ca6 127.55(6) . 3_554 ?
Ca2 Cd2 Ca2 156.85(13) 13_665 12_666 ?
Ca2 Cd2 Ca2 113.57(5) 3_554 13_665 ?
Ca2 Cd2 Ca2 156.85(13) 3_554 6 ?
Ca2 Cd2 Ca2 61.29(3) 3_554 12_666 ?
Ca2 Cd2 Ca2 61.29(3) 13_665 6 ?
Ca2 Cd2 Ca2 113.57(5) 12_666 6 ?
Ca2 Cd2 Ca4 78.43(6) 6 . ?
Ca2 Cd2 Ca4 78.43(6) 12_666 . ?
Ca2 Cd2 Ca4 78.43(6) 3_554 . ?
Ca2 Cd2 Ca4 78.43(6) 13_665 . ?
Ca6 Cd2 Ca2 121.76(5) 11_666 13_665 ?
Ca6 Cd2 Ca2 73.63(3) 11_666 6 ?
Ca6 Cd2 Ca2 73.63(3) 3_554 13_665 ?
Ca6 Cd2 Ca2 121.76(5) 3_554 12_666 ?
Ca6 Cd2 Ca2 121.76(5) 11_666 3_554 ?
Ca6 Cd2 Ca2 73.63(3) 3_554 3_554 ?
Ca6 Cd2 Ca2 121.76(5) 3_554 6 ?
Ca6 Cd2 Ca2 73.63(3) 11_666 12_666 ?
Ca6 Cd2 Ca4 127.55(6) 11_666 . ?
Ca6 Cd2 Ca4 127.55(6) 3_554 . ?
Ca6 Cd2 Ca6 104.90(12) 11_666 3_554 ?
Sb1 Ca1 Sb1 140.58(3) . 11_566 ?
Sb1 Ca1 Sb2 91.71(2) . 11_566 ?
Sb1 Ca1 Sb2 162.63(3) 11_566 . ?
Sb1 Ca1 Sb2 49.239(17) . . ?
Sb1 Ca1 Sb2 50.061(17) 11_566 11_566 ?
Sb1 Ca1 Sb3A 132.18(5) . . ?
Sb1 Ca1 Cd1 107.08(3) 11_566 . ?
Sb1 Ca1 Cd1 107.13(3) . . ?
Sb1 Ca1 Ca2 51.22(2) 11_566 11_566 ?
Sb1 Ca1 Ca2 91.22(3) 11_566 . ?
Sb1 Ca1 Ca2 137.85(3) . 11_566 ?
Sb1 Ca1 Ca2 52.08(2) . . ?
Sb1 Ca1 Ca4 116.82(6) 11_566 . ?
Sb1 Ca1 Ca4 100.69(5) . . ?
Sb2 Ca1 Sb2 140.31(3) 11_566 . ?
Sb2 Ca1 Cd1 133.07(4) 11_566 . ?
Sb2 Ca1 Cd1 75.01(3) . . ?
Sb2 Ca1 Ca2 90.88(3) . . ?
Sb2 Ca1 Ca2 92.48(3) 11_566 11_566 ?
Sb2 Ca1 Ca2 111.46(3) . 11_566 ?
Sb2 Ca1 Ca2 52.87(2) 11_566 . ?
Sb2 Ca1 Ca4 62.45(7) . . ?
Sb2 Ca1 Ca4 147.21(8) 11_566 . ?
Sb3A Ca1 Sb1 85.21(4) . 11_566 ?
Sb3A Ca1 Sb2 82.96(4) . . ?
Sb3A Ca1 Sb2 135.27(4) . 11_566 ?
Sb3A Ca1 Cd1 51.47(3) . . ?
Sb3A Ca1 Ca2 143.92(5) . . ?
Sb3A Ca1 Ca2 51.15(3) . 11_566 ?
Sb3A Ca1 Ca4 46.98(3) . . ?
Sb3B Ca1 Sb1 126.94(5) . . ?
Sb3B Ca1 Sb1 91.32(5) . 11_566 ?
Sb3B Ca1 Sb2 141.22(5) . 11_566 ?
Sb3B Ca1 Sb2 77.80(5) . . ?
Sb3B Ca1 Sb3A 7.02(4) . . ?
Sb3B Ca1 Cd1 45.77(5) . . ?
Sb3B Ca1 Ca2 147.41(6) . . ?
Sb3B Ca1 Ca2 58.01(4) . 11_566 ?
Sb3B Ca1 Ca4 40.27(4) . . ?
Sb5 Ca1 Sb1 96.73(3) . . ?
Sb5 Ca1 Sb1 92.87(2) . 11_566 ?
Sb5 Ca1 Sb2 89.86(3) . 11_566 ?
Sb5 Ca1 Sb2 100.28(3) . . ?
Sb5 Ca1 Sb3A 92.41(5) . . ?
Sb5 Ca1 Sb3B 88.64(6) . . ?
Sb5 Ca1 Cd1 46.39(3) . . ?
Sb5 Ca1 Ca2 125.20(3) . 11_566 ?
Sb5 Ca1 Ca2 123.65(3) . . ?
Sb5 Ca1 Ca4 58.80(7) . . ?
Sb6 Ca1 Sb1 84.66(2) . . ?
Sb6 Ca1 Sb1 83.63(2) . 11_566 ?
Sb6 Ca1 Sb2 83.59(2) . . ?
Sb6 Ca1 Sb2 86.19(2) . 11_566 ?
Sb6 Ca1 Sb3A 89.52(4) . . ?
Sb6 Ca1 Sb3B 93.64(6) . . ?
Sb6 Ca1 Sb5 175.86(4) . . ?
Sb6 Ca1 Cd1 136.88(4) . . ?
Sb6 Ca1 Ca2 53.85(2) . 11_566 ?
Sb6 Ca1 Ca2 54.42(2) . . ?
Sb6 Ca1 Ca4 124.85(8) . . ?
Ca2 Ca1 Cd1 158.62(3) . . ?
Ca2 Ca1 Cd1 100.17(3) 11_566 . ?
Ca2 Ca1 Ca2 99.93(3) . 11_566 ?
Ca2 Ca1 Ca4 98.07(3) 11_566 . ?
Ca2 Ca1 Ca4 151.96(6) . . ?
Ca4 Ca1 Cd1 14.24(7) . . ?
Sb1 Ca2 Sb2 101.87(3) . 11_566 ?
Sb1 Ca2 Sb3A 164.05(4) . 11_566 ?
Sb1 Ca2 Sb3B 169.30(5) . 11_566 ?
Sb1 Ca2 Sb3B 95.32(6) . 3 ?
Sb1 Ca2 Sb4 64.684(19) . 11_566 ?
Sb1 Ca2 Sb6 88.50(2) . . ?
Sb1 Ca2 Ca5 125.19(10) . 11_566 ?
Sb1 Ca2 Cd2 103.89(7) . 11_566 ?
Sb1 Ca2 Ca1 58.72(2) . . ?
Sb1 Ca2 Ca2 114.835(18) . 10_556 ?
Sb2 Ca2 Sb3A 93.96(4) 11_566 11_566 ?
Sb2 Ca2 Sb3B 162.79(6) 11_566 3 ?
Sb2 Ca2 Sb4 95.48(3) 11_566 11_566 ?
Sb2 Ca2 Ca5 52.432(18) 11_566 11_566 ?
Sb2 Ca2 Cd2 56.88(3) 11_566 11_566 ?
Sb2 Ca2 Ca1 59.49(2) 11_566 . ?
Sb2 Ca2 Ca2 111.611(18) 11_566 10_556 ?
Sb3A Ca2 Sb1 96.70(6) 3 . ?
Sb3A Ca2 Sb2 160.88(5) 3 11_566 ?
Sb3A Ca2 Sb3A 67.37(7) 3 11_566 ?
Sb3A Ca2 Sb3B 68.83(4) 11_566 3 ?
Sb3A Ca2 Sb3B 4.00(3) 3 3 ?
Sb3A Ca2 Sb3B 73.82(4) 3 11_566 ?
Sb3A Ca2 Sb4 88.30(5) 3 11_566 ?
Sb3A Ca2 Sb4 112.19(4) 11_566 11_566 ?
Sb3A Ca2 Sb6 94.96(3) 3 . ?
Sb3A Ca2 Ca5 63.92(9) 11_566 11_566 ?
Sb3A Ca2 Ca5 112.23(4) 3 11_566 ?
Sb3A Ca2 Cd2 114.14(3) 3 11_566 ?
Sb3A Ca2 Cd2 83.05(6) 11_566 11_566 ?
Sb3A Ca2 Ca1 136.74(4) 3 . ?
Sb3A Ca2 Ca1 133.67(4) 11_566 . ?
Sb3A Ca2 Ca2 55.18(2) 3 10_556 ?
Sb3A Ca2 Ca2 56.11(3) 11_566 10_556 ?
Sb3B Ca2 Sb2 87.27(4) 11_566 11_566 ?
Sb3B Ca2 Sb3A 7.61(5) 11_566 11_566 ?
Sb3B Ca2 Sb3B 75.54(8) 11_566 3 ?
Sb3B Ca2 Sb4 109.31(4) 11_566 11_566 ?
Sb3B Ca2 Ca5 56.63(10) 11_566 11_566 ?
Sb3B Ca2 Ca5 115.92(4) 3 11_566 ?
Sb3B Ca2 Cd2 76.32(7) 11_566 11_566 ?
Sb3B Ca2 Cd2 118.14(3) 3 11_566 ?
Sb3B Ca2 Ca1 132.97(4) 3 . ?
Sb3B Ca2 Ca1 131.76(5) 11_566 . ?
Sb3B Ca2 Ca2 59.16(2) 3 10_556 ?
Sb3B Ca2 Ca2 55.79(4) 11_566 10_556 ?
Sb4 Ca2 Sb3B 91.10(5) 11_566 3 ?
Sb4 Ca2 Ca5 70.56(10) 11_566 11_566 ?
Sb4 Ca2 Cd2 50.11(6) 11_566 11_566 ?
Sb4 Ca2 Ca1 107.87(3) 11_566 . ?
Sb4 Ca2 Ca2 58.088(16) 11_566 10_556 ?
Sb6 Ca2 Sb2 90.09(2) . 11_566 ?
Sb6 Ca2 Sb3A 93.50(3) . 11_566 ?
Sb6 Ca2 Sb3B 91.18(4) . 3 ?
Sb6 Ca2 Sb3B 97.13(4) . 11_566 ?
Sb6 Ca2 Sb4 153.18(3) . 11_566 ?
Sb6 Ca2 Ca5 131.14(9) . 11_566 ?
Sb6 Ca2 Cd2 146.23(4) . 11_566 ?
Sb6 Ca2 Ca1 53.44(2) . . ?
Sb6 Ca2 Ca2 142.387(17) . 10_556 ?
Ca5 Ca2 Cd2 22.05(12) 11_566 11_566 ?
Ca5 Ca2 Ca1 110.98(3) 11_566 . ?
Ca5 Ca2 Ca2 59.227(19) 11_566 10_556 ?
Cd2 Ca2 Ca1 106.58(3) 11_566 . ?
Cd2 Ca2 Ca2 59.354(17) 11_566 10_556 ?
Ca2 Ca2 Ca1 164.11(2) 10_556 . ?
Sb1 Ca3 Sb1 122.64(6) 3_554 12_666 ?
Sb1 Ca3 Sb5 155.74(5) 12_666 9_565 ?
Sb1 Ca3 Sb5 155.74(5) 3_554 1_565 ?
Sb1 Ca3 Sb5 81.619(15) 12_666 1_565 ?
Sb1 Ca3 Sb5 81.619(15) 3_554 9_565 ?
Sb1 Ca3 Ca4 111.15(3) 12_666 9_565 ?
Sb1 Ca3 Ca4 111.15(3) 3_554 9_565 ?
Sb3A Ca3 Sb1 90.94(2) 9_565 12_666 ?
Sb3A Ca3 Sb1 90.94(2) 7_565 3_554 ?
Sb3A Ca3 Sb1 90.94(2) 9_565 3_554 ?
Sb3A Ca3 Sb1 90.94(2) 7_565 12_666 ?
Sb3A Ca3 Sb3A 176.07(9) 7_565 9_565 ?
Sb3A Ca3 Sb3B 7.67(6) 9_565 9_565 ?
Sb3A Ca3 Sb3B 7.67(6) 7_565 7_565 ?
Sb3A Ca3 Sb3B 168.40(8) 7_565 9_565 ?
Sb3A Ca3 Sb3B 168.40(8) 9_565 7_565 ?
Sb3A Ca3 Sb4 91.97(5) 9_565 . ?
Sb3A Ca3 Sb4 91.97(5) 7_565 . ?
Sb3A Ca3 Sb5 88.43(4) 9_565 9_565 ?
Sb3A Ca3 Sb5 88.43(4) 7_565 1_565 ?
Sb3A Ca3 Sb5 88.43(4) 9_565 1_565 ?
Sb3A Ca3 Sb5 88.43(4) 7_565 9_565 ?
Sb3A Ca3 Cd1 58.81(4) 7_565 1_565 ?
Sb3A Ca3 Cd1 117.26(7) 7_565 9_565 ?
Sb3A Ca3 Cd1 117.26(7) 9_565 1_565 ?
Sb3A Ca3 Cd1 58.81(4) 9_565 9_565 ?
Sb3A Ca3 Ca4 46.80(7) 9_565 9_565 ?
Sb3A Ca3 Ca4 129.27(9) 7_565 9_565 ?
Sb3B Ca3 Sb1 94.61(2) 7_565 3_554 ?
Sb3B Ca3 Sb1 94.61(2) 9_565 12_666 ?
Sb3B Ca3 Sb1 94.61(2) 7_565 12_666 ?
Sb3B Ca3 Sb1 94.61(2) 9_565 3_554 ?
Sb3B Ca3 Sb3B 160.72(11) 7_565 9_565 ?
Sb3B Ca3 Sb4 99.64(5) 7_565 . ?
Sb3B Ca3 Sb4 99.64(5) 9_565 . ?
Sb3B Ca3 Sb5 82.32(4) 7_565 9_565 ?
Sb3B Ca3 Sb5 82.32(4) 9_565 1_565 ?
Sb3B Ca3 Sb5 82.32(4) 9_565 9_565 ?
Sb3B Ca3 Sb5 82.32(4) 7_565 1_565 ?
Sb3B Ca3 Cd1 109.59(7) 9_565 1_565 ?
Sb3B Ca3 Cd1 51.13(5) 9_565 9_565 ?
Sb3B Ca3 Cd1 51.13(5) 7_565 1_565 ?
Sb3B Ca3 Cd1 109.59(7) 7_565 9_565 ?
Sb3B Ca3 Ca4 121.60(9) 7_565 9_565 ?
Sb3B Ca3 Ca4 39.12(7) 9_565 9_565 ?
Sb4 Ca3 Sb1 61.32(3) . 12_666 ?
Sb4 Ca3 Sb1 61.32(3) . 3_554 ?
Sb4 Ca3 Sb5 142.94(2) . 9_565 ?
Sb4 Ca3 Sb5 142.94(2) . 1_565 ?
Sb4 Ca3 Cd1 150.77(3) . 9_565 ?
Sb4 Ca3 Cd1 150.77(3) . 1_565 ?
Sb4 Ca3 Ca4 138.76(6) . 9_565 ?
Sb5 Ca3 Sb5 74.12(4) 1_565 9_565 ?
Sb5 Ca3 Ca4 53.13(4) 9_565 9_565 ?
Sb5 Ca3 Ca4 53.13(4) 1_565 9_565 ?
Cd1 Ca3 Sb1 114.76(2) 1_565 12_666 ?
Cd1 Ca3 Sb1 114.76(2) 9_565 3_554 ?
Cd1 Ca3 Sb1 114.76(2) 1_565 3_554 ?
Cd1 Ca3 Sb1 114.76(2) 9_565 12_666 ?
Cd1 Ca3 Sb5 45.86(3) 9_565 9_565 ?
Cd1 Ca3 Sb5 45.86(3) 9_565 1_565 ?
Cd1 Ca3 Sb5 45.86(3) 1_565 1_565 ?
Cd1 Ca3 Sb5 45.86(3) 1_565 9_565 ?
Cd1 Ca3 Cd1 58.46(6) 9_565 1_565 ?
Cd1 Ca3 Ca4 70.47(8) 1_565 9_565 ?
Cd1 Ca3 Ca4 12.01(5) 9_565 9_565 ?
Sb3A Ca4 Sb3A 166.1(2) . 7 ?
Sb3A Ca4 Sb5 95.25(9) . . ?
Sb3A Ca4 Sb5 95.25(9) 7 9 ?
Sb3A Ca4 Sb5 95.25(9) 7 . ?
Sb3A Ca4 Sb5 95.25(9) . 9 ?
Sb3A Ca4 Cd2 83.06(12) 7 . ?
Sb3A Ca4 Cd2 83.06(12) . . ?
Sb3A Ca4 Ca1 59.213(19) . . ?
Sb3A Ca4 Ca1 122.729(15) 7 10 ?
Sb3A Ca4 Ca1 59.213(19) . 10 ?
Sb3A Ca4 Ca1 122.728(15) 7 . ?
Sb3A Ca4 Ca1 59.213(19) 7 7 ?
Sb3A Ca4 Ca1 122.729(15) . 7 ?
Sb3B Ca4 Sb3A 2.66(13) . . ?
Sb3B Ca4 Sb3A 163.5(2) . 7 ?
Sb3B Ca4 Sb3A 163.5(2) 7 . ?
Sb3B Ca4 Sb3A 2.66(13) 7 7 ?
Sb3B Ca4 Sb3B 160.8(3) . 7 ?
Sb3B Ca4 Sb5 97.26(10) . 9 ?
Sb3B Ca4 Sb5 97.26(10) . . ?
Sb3B Ca4 Sb5 97.26(10) 7 . ?
Sb3B Ca4 Sb5 97.26(10) 7 9 ?
Sb3B Ca4 Cd2 80.40(15) 7 . ?
Sb3B Ca4 Cd2 80.40(15) . . ?
Sb3B Ca4 Ca1 122.860(16) 7 10 ?
Sb3B Ca4 Ca1 59.81(3) 7 7 ?
Sb3B Ca4 Ca1 122.860(16) 7 . ?
Sb3B Ca4 Ca1 59.81(3) . . ?
Sb3B Ca4 Ca1 59.81(3) . 10 ?
Sb3B Ca4 Ca1 122.860(16) . 7 ?
Sb5 Ca4 Sb5 81.49(12) . 9 ?
Sb5 Ca4 Cd2 139.25(6) . . ?
Sb5 Ca4 Cd2 139.25(6) 9 . ?
Sb5 Ca4 Ca1 117.24(12) . 10 ?
Sb5 Ca4 Ca1 117.24(12) . 7 ?
Sb5 Ca4 Ca1 50.34(3) 9 10 ?
Sb5 Ca4 Ca1 50.34(3) 9 7 ?
Sb5 Ca4 Ca1 117.24(12) 9 . ?
Sb5 Ca4 Ca1 50.34(3) . . ?
Cd1 Ca4 Sb3A 96.94(12) . 7 ?
Cd1 Ca4 Sb3A 96.94(12) . . ?
Cd1 Ca4 Sb3B 99.60(15) . . ?
Cd1 Ca4 Sb3B 99.60(15) . 7 ?
Cd1 Ca4 Sb5 40.75(6) . 9 ?
Cd1 Ca4 Sb5 40.75(6) . . ?
Cd1 Ca4 Ca5 180.0(4) . . ?
Cd1 Ca4 Cd2 180.0(4) . . ?
Cd1 Ca4 Ca1 83.15(8) . 7 ?
Cd1 Ca4 Ca1 83.16(8) . . ?
Cd1 Ca4 Ca1 83.15(8) . 10 ?
Ca5 Ca4 Sb3A 83.06(12) . 7 ?
Ca5 Ca4 Sb3A 83.06(12) . . ?
Ca5 Ca4 Sb3B 80.40(15) . . ?
Ca5 Ca4 Sb3B 80.40(15) . 7 ?
Ca5 Ca4 Sb5 139.25(6) . 9 ?
Ca5 Ca4 Sb5 139.25(6) . . ?
Ca5 Ca4 Cd2 0.00(5) . . ?
Ca5 Ca4 Ca1 96.84(8) . . ?
Ca5 Ca4 Ca1 96.85(8) . 10 ?
Ca5 Ca4 Ca1 96.85(8) . 7 ?
Cd2 Ca4 Ca1 96.85(8) . 7 ?
Cd2 Ca4 Ca1 96.85(8) . 10 ?
Cd2 Ca4 Ca1 96.84(8) . . ?
Ca1 Ca4 Ca1 64.03(3) 7 10 ?
Ca1 Ca4 Ca1 166.31(16) . 7 ?
Ca1 Ca4 Ca1 114.17(4) . 10 ?
Sb1 Ca6 Sb1 166.06(8) 2 . ?
Sb1 Ca6 Ca1 51.73(2) 2 15 ?
Sb1 Ca6 Ca1 117.18(5) . 2 ?
Sb1 Ca6 Ca1 117.18(5) . 15 ?
Sb1 Ca6 Ca1 51.73(2) 2 2 ?
Sb1 Ca6 Ca1 51.73(2) . . ?
Sb1 Ca6 Ca1 117.18(5) 2 . ?
Sb2 Ca6 Sb1 89.333(9) 12_656 2 ?
Sb2 Ca6 Sb1 89.333(9) 12_656 . ?
Sb2 Ca6 Sb1 89.333(9) 11_566 . ?
Sb2 Ca6 Sb1 89.333(9) 11_566 2 ?
Sb2 Ca6 Sb2 168.98(9) 12_656 11_566 ?
Sb2 Ca6 Sb4 94.33(3) 12_656 11_566 ?
Sb2 Ca6 Sb4 94.33(3) 11_566 3_545 ?
Sb2 Ca6 Sb4 94.33(3) 12_656 3_545 ?
Sb2 Ca6 Sb4 94.33(3) 11_566 11_566 ?
Sb2 Ca6 Sb5 84.49(4) 12_656 . ?
Sb2 Ca6 Sb5 84.49(4) 11_566 . ?
Sb2 Ca6 Cd2 133.06(9) 12_656 11_566 ?
Sb2 Ca6 Cd2 133.06(9) 11_566 3_545 ?
Sb2 Ca6 Cd2 57.96(6) 12_656 3_545 ?
Sb2 Ca6 Cd2 57.96(6) 11_566 11_566 ?
Sb2 Ca6 Ca1 55.32(3) 11_566 15 ?
Sb2 Ca6 Ca1 116.13(5) 12_656 15 ?
Sb2 Ca6 Ca1 55.32(3) 11_566 . ?
Sb2 Ca6 Ca1 116.13(5) 12_656 . ?
Sb2 Ca6 Ca1 55.32(3) 12_656 2 ?
Sb2 Ca6 Ca1 116.13(5) 11_566 2 ?
Sb4 Ca6 Sb1 58.757(17) 3_545 2 ?
Sb4 Ca6 Sb1 58.757(17) 11_566 . ?
Sb4 Ca6 Sb1 135.18(7) 3_545 . ?
Sb4 Ca6 Sb1 135.18(7) 11_566 2 ?
Sb4 Ca6 Sb4 76.42(6) 11_566 3_545 ?
Sb4 Ca6 Sb5 141.79(3) 11_566 . ?
Sb4 Ca6 Sb5 141.79(3) 3_545 . ?
Sb4 Ca6 Ca1 149.52(2) 3_545 . ?
Sb4 Ca6 Ca1 101.027(15) 3_545 2 ?
Sb4 Ca6 Ca1 101.027(15) 3_545 15 ?
Sb4 Ca6 Ca1 149.52(2) 11_566 2 ?
Sb4 Ca6 Ca1 101.027(16) 11_566 . ?
Sb4 Ca6 Ca1 149.52(2) 11_566 15 ?
Sb5 Ca6 Sb1 83.03(4) . 2 ?
Sb5 Ca6 Sb1 83.03(4) . . ?
Sb5 Ca6 Ca1 47.92(3) . 15 ?
Sb5 Ca6 Ca1 47.92(3) . 2 ?
Sb5 Ca6 Ca1 47.92(3) . . ?
Cd2 Ca6 Sb1 95.52(3) 11_566 . ?
Cd2 Ca6 Sb1 95.52(3) 3_545 . ?
Cd2 Ca6 Sb1 95.52(3) 3_545 2 ?
Cd2 Ca6 Sb1 95.52(3) 11_566 2 ?
Cd2 Ca6 Sb4 51.47(5) 11_566 3_545 ?
Cd2 Ca6 Sb4 51.47(5) 11_566 11_566 ?
Cd2 Ca6 Sb4 51.47(5) 3_545 3_545 ?
Cd2 Ca6 Sb4 51.47(5) 3_545 11_566 ?
Cd2 Ca6 Sb5 142.45(6) 3_545 . ?
Cd2 Ca6 Sb5 142.45(6) 11_566 . ?
Cd2 Ca6 Cd2 75.10(12) 11_566 3_545 ?
Cd2 Ca6 Ca1 147.17(2) 11_566 2 ?
Cd2 Ca6 Ca1 147.17(2) 3_545 . ?
Cd2 Ca6 Ca1 102.84(5) 3_545 2 ?
Cd2 Ca6 Ca1 102.84(5) 11_566 . ?
Cd2 Ca6 Ca1 102.84(5) 11_566 15 ?
Cd2 Ca6 Ca1 147.17(2) 3_545 15 ?
Ca1 Ca6 Ca1 60.93(4) 15 2 ?
Ca1 Ca6 Ca1 65.65(4) . 15 ?
Ca1 Ca6 Ca1 95.84(6) . 2 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sb2 Ca5 Cd2 Sb2 180.000(0) 10 . . . ?
Sb2 Ca5 Cd2 Sb2 180.000(0) . . . 10 ?
Sb2 Ca5 Cd2 Sb4 -90.000(0) 10 . . 9_665 ?
Sb2 Ca5 Cd2 Sb4 90.000(0) . . . 9_665 ?
Sb2 Ca5 Cd2 Sb4 90.0 10 . . . ?
Sb2 Ca5 Cd2 Sb4 -90.000(0) . . . . ?
Sb2 Ca5 Cd2 Ca2 121.353(15) . . . 13_665 ?
Sb2 Ca5 Cd2 Ca2 -58.647(15) . . . 12_666 ?
Sb2 Ca5 Cd2 Ca2 121.353(15) 10 . . 12_666 ?
Sb2 Ca5 Cd2 Ca2 58.647(15) . . . 6 ?
Sb2 Ca5 Cd2 Ca2 -121.353(15) 10 . . 6 ?
Sb2 Ca5 Cd2 Ca2 -58.647(15) 10 . . 13_665 ?
Sb2 Ca5 Cd2 Ca2 -121.353(15) . . . 3_554 ?
Sb2 Ca5 Cd2 Ca2 58.647(15) 10 . . 3_554 ?
Sb2 Ca5 Cd2 Ca4 -90.000(0) . . . . ?
Sb2 Ca5 Cd2 Ca4 90.000(0) 10 . . . ?
Sb2 Ca5 Cd2 Ca6 180.000(0) 10 . . 11_666 ?
Sb2 Ca5 Cd2 Ca6 0.000(0) . . . 11_666 ?
Sb2 Ca5 Cd2 Ca6 0.000(0) 10 . . 3_554 ?
Sb2 Ca5 Cd2 Ca6 180.000(0) . . . 3_554 ?
Sb3A Cd1 Ca4 Sb3A 180.0 . . . 7 ?
Sb3A Cd1 Ca4 Sb3A 180.0 7 . . . ?
Sb3A Cd1 Ca4 Sb3B 0.0 . . . . ?
Sb3A Cd1 Ca4 Sb3B 180.0 . . . 7 ?
Sb3A Cd1 Ca4 Sb3B 0.0 7 . . 7 ?
Sb3A Cd1 Ca4 Sb3B 180.0 7 . . . ?
Sb3A Cd1 Ca4 Sb5 90.000(0) . . . . ?
Sb3A Cd1 Ca4 Sb5 90.0 7 . . 9 ?
Sb3A Cd1 Ca4 Sb5 -90.000(0) 7 . . . ?
Sb3A Cd1 Ca4 Sb5 -90.000(0) . . . 9 ?
Sb3A Cd1 Ca4 Ca1 -122.273(14) . . . 7 ?
Sb3A Cd1 Ca4 Ca1 57.727(14) 7 . . 7 ?
Sb3A Cd1 Ca4 Ca1 -122.272(14) 7 . . . ?
Sb3A Cd1 Ca4 Ca1 122.273(14) 7 . . 10 ?
Sb3A Cd1 Ca4 Ca1 57.728(14) . . . . ?
Sb3A Cd1 Ca4 Ca1 -57.727(14) . . . 10 ?
Sb3A Ca5 Cd2 Sb2 -90.0 . . . 10 ?
Sb3A Ca5 Cd2 Sb2 90.0 . . . . ?
Sb3A Ca5 Cd2 Sb4 0.0 . . . . ?
Sb3A Ca5 Cd2 Sb4 180.0 . . . 9_665 ?
Sb3A Ca5 Cd2 Ca2 31.353(15) . . . 12_666 ?
Sb3A Ca5 Cd2 Ca2 148.647(15) . . . 6 ?
Sb3A Ca5 Cd2 Ca2 -148.647(15) . . . 13_665 ?
Sb3A Ca5 Cd2 Ca2 -31.353(15) . . . 3_554 ?
Sb3A Ca5 Cd2 Ca4 0.0 . . . . ?
Sb3A Ca5 Cd2 Ca6 90.000(0) . . . 11_666 ?
Sb3A Ca5 Cd2 Ca6 -90.000(0) . . . 3_554 ?
Sb3B Cd1 Ca4 Sb3A 180.0 7 . . . ?
Sb3B Cd1 Ca4 Sb3A 0.0 7 . . 7 ?
Sb3B Cd1 Ca4 Sb3A 180.0 . . . 7 ?
Sb3B Cd1 Ca4 Sb3A 0.0 . . . . ?
Sb3B Cd1 Ca4 Sb3B 180.0 7 . . . ?
Sb3B Cd1 Ca4 Sb3B 180.0 . . . 7 ?
Sb3B Cd1 Ca4 Sb5 90.000(0) . . . . ?
Sb3B Cd1 Ca4 Sb5 90.0 7 . . 9 ?
Sb3B Cd1 Ca4 Sb5 -90.000(0) . . . 9 ?
Sb3B Cd1 Ca4 Sb5 -90.000(0) 7 . . . ?
Sb3B Cd1 Ca4 Ca1 122.273(14) 7 . . 10 ?
Sb3B Cd1 Ca4 Ca1 -122.273(14) . . . 7 ?
Sb3B Cd1 Ca4 Ca1 -122.272(14) 7 . . . ?
Sb3B Cd1 Ca4 Ca1 57.727(14) 7 . . 7 ?
Sb3B Cd1 Ca4 Ca1 57.728(14) . . . . ?
Sb3B Cd1 Ca4 Ca1 -57.727(14) . . . 10 ?
Sb3B Ca5 Cd2 Sb2 90.0 7 . . 10 ?
Sb3B Ca5 Cd2 Sb2 -90.0 7 . . . ?
Sb3B Ca5 Cd2 Sb2 90.0 . . . . ?
Sb3B Ca5 Cd2 Sb2 -90.0 . . . 10 ?
Sb3B Ca5 Cd2 Sb4 180.0 7 . . . ?
Sb3B Ca5 Cd2 Sb4 180.0 . . . 9_665 ?
Sb3B Ca5 Cd2 Sb4 0.0 7 . . 9_665 ?
Sb3B Ca5 Cd2 Sb4 0.0 . . . . ?
Sb3B Ca5 Cd2 Ca2 31.353(15) . . . 12_666 ?
Sb3B Ca5 Cd2 Ca2 -31.353(15) . . . 3_554 ?
Sb3B Ca5 Cd2 Ca2 -31.353(15) 7 . . 6 ?
Sb3B Ca5 Cd2 Ca2 31.353(15) 7 . . 13_665 ?
Sb3B Ca5 Cd2 Ca2 148.647(15) . . . 6 ?
Sb3B Ca5 Cd2 Ca2 148.647(15) 7 . . 3_554 ?
Sb3B Ca5 Cd2 Ca2 -148.647(15) 7 . . 12_666 ?
Sb3B Ca5 Cd2 Ca2 -148.647(15) . . . 13_665 ?
Sb3B Ca5 Cd2 Ca4 180.0 7 . . . ?
Sb3B Ca5 Cd2 Ca4 0.0 . . . . ?
Sb3B Ca5 Cd2 Ca6 -90.000(0) 7 . . 11_666 ?
Sb3B Ca5 Cd2 Ca6 -90.000(0) . . . 3_554 ?
Sb3B Ca5 Cd2 Ca6 90.000(0) 7 . . 3_554 ?
Sb3B Ca5 Cd2 Ca6 90.000(0) . . . 11_666 ?
Sb5 Cd1 Ca4 Sb3A 90.0 . . . 7 ?
Sb5 Cd1 Ca4 Sb3A 90.000(0) 9 . . . ?
Sb5 Cd1 Ca4 Sb3A -90.000(0) . . . . ?
Sb5 Cd1 Ca4 Sb3A -90.000(0) 9 . . 7 ?
Sb5 Cd1 Ca4 Sb3B -90.000(0) 9 . . 7 ?
Sb5 Cd1 Ca4 Sb3B -90.000(0) . . . . ?
Sb5 Cd1 Ca4 Sb3B 90.0 . . . 7 ?
Sb5 Cd1 Ca4 Sb3B 90.000(0) 9 . . . ?
Sb5 Cd1 Ca4 Sb5 180.000(0) 9 . . . ?
Sb5 Cd1 Ca4 Sb5 180.000(0) . . . 9 ?
Sb5 Cd1 Ca4 Ca1 32.273(14) 9 . . 10 ?
Sb5 Cd1 Ca4 Ca1 147.727(14) . . . 7 ?
Sb5 Cd1 Ca4 Ca1 147.728(14) 9 . . . ?
Sb5 Cd1 Ca4 Ca1 -32.273(14) 9 . . 7 ?
Sb5 Cd1 Ca4 Ca1 -32.272(14) . . . . ?
Sb5 Cd1 Ca4 Ca1 -147.727(14) . . . 10 ?
Ca5 Cd1 Ca4 Sb3A 0.0 . . . 7 ?
Ca5 Cd1 Ca4 Sb3A 180.0 . . . . ?
Ca5 Cd1 Ca4 Sb3B 180.0 . . . . ?
Ca5 Cd1 Ca4 Sb3B 0.0 . . . 7 ?
Ca5 Cd1 Ca4 Sb5 90.000(0) . . . 9 ?
Ca5 Cd1 Ca4 Sb5 -90.000(1) . . . . ?
Ca5 Cd1 Ca4 Ca1 122.273(14) . . . 10 ?
Ca5 Cd1 Ca4 Ca1 -122.272(14) . . . . ?
Ca5 Cd1 Ca4 Ca1 57.727(14) . . . 7 ?
Ca1 Cd1 Ca4 Sb3A -57.728(14) . . . . ?
Ca1 Cd1 Ca4 Sb3A 122.272(14) . . . 7 ?
Ca1 Cd1 Ca4 Sb3B 122.272(14) . . . 7 ?
Ca1 Cd1 Ca4 Sb3B -57.728(14) . . . . ?
Ca1 Cd1 Ca4 Sb5 32.272(14) . . . . ?
Ca1 Cd1 Ca4 Sb5 -147.728(14) . . . 9 ?
Ca1 Cd1 Ca4 Ca1 -115.46(3) . . . 10 ?
Ca1 Cd1 Ca4 Ca1 180.0 . . . 7 ?
Ca2 Ca5 Cd2 Sb2 58.647(15) 12_666 . . . ?
Ca2 Ca5 Cd2 Sb2 -121.353(15) 13_665 . . . ?
Ca2 Ca5 Cd2 Sb2 121.353(15) 6 . . 10 ?
Ca2 Ca5 Cd2 Sb2 -58.647(15) 3_554 . . 10 ?
Ca2 Ca5 Cd2 Sb2 -58.647(15) 6 . . . ?
Ca2 Ca5 Cd2 Sb2 -121.353(15) 12_666 . . 10 ?
Ca2 Ca5 Cd2 Sb2 121.353(15) 3_554 . . . ?
Ca2 Ca5 Cd2 Sb2 58.647(15) 13_665 . . 10 ?
Ca2 Ca5 Cd2 Sb4 -31.353(15) 13_665 . . 9_665 ?
Ca2 Ca5 Cd2 Sb4 31.353(15) 6 . . 9_665 ?
Ca2 Ca5 Cd2 Sb4 -31.353(15) 12_666 . . . ?
Ca2 Ca5 Cd2 Sb4 148.647(15) 12_666 . . 9_665 ?
Ca2 Ca5 Cd2 Sb4 -148.647(15) 6 . . . ?
Ca2 Ca5 Cd2 Sb4 148.647(15) 13_665 . . . ?
Ca2 Ca5 Cd2 Sb4 31.353(15) 3_554 . . . ?
Ca2 Ca5 Cd2 Sb4 -148.647(15) 3_554 . . 9_665 ?
Ca2 Ca5 Cd2 Ca2 62.71(3) 6 . . 13_665 ?
Ca2 Ca5 Cd2 Ca2 -117.29(3) 6 . . 12_666 ?
Ca2 Ca5 Cd2 Ca2 180.0 6 . . 3_554 ?
Ca2 Ca5 Cd2 Ca2 180.000(0) 12_666 . . 13_665 ?
Ca2 Ca5 Cd2 Ca2 -62.71(3) 12_666 . . 3_554 ?
Ca2 Ca5 Cd2 Ca2 117.29(3) 13_665 . . 3_554 ?
Ca2 Ca5 Cd2 Ca2 -117.29(3) 3_554 . . 13_665 ?
Ca2 Ca5 Cd2 Ca2 117.29(3) 12_666 . . 6 ?
Ca2 Ca5 Cd2 Ca2 180.0 13_665 . . 12_666 ?
Ca2 Ca5 Cd2 Ca2 -62.71(3) 13_665 . . 6 ?
Ca2 Ca5 Cd2 Ca2 62.71(3) 3_554 . . 12_666 ?
Ca2 Ca5 Cd2 Ca2 180.000(0) 3_554 . . 6 ?
Ca2 Ca5 Cd2 Ca4 -148.647(15) 6 . . . ?
Ca2 Ca5 Cd2 Ca4 148.647(15) 13_665 . . . ?
Ca2 Ca5 Cd2 Ca4 -31.353(15) 12_666 . . . ?
Ca2 Ca5 Cd2 Ca4 31.353(15) 3_554 . . . ?
Ca2 Ca5 Cd2 Ca6 121.353(15) 6 . . 3_554 ?
Ca2 Ca5 Cd2 Ca6 121.353(15) 3_554 . . 11_666 ?
Ca2 Ca5 Cd2 Ca6 -121.353(15) 13_665 . . 11_666 ?
Ca2 Ca5 Cd2 Ca6 -58.647(15) 6 . . 11_666 ?
Ca2 Ca5 Cd2 Ca6 58.647(15) 12_666 . . 11_666 ?
Ca2 Ca5 Cd2 Ca6 58.647(15) 13_665 . . 3_554 ?
Ca2 Ca5 Cd2 Ca6 -58.647(15) 3_554 . . 3_554 ?
Ca2 Ca5 Cd2 Ca6 -121.353(15) 12_666 . . 3_554 ?
Ca3 Cd1 Ca4 Sb3A 180.0 1_545 . . . ?
Ca3 Cd1 Ca4 Sb3A 180.0 9_565 . . 7 ?
Ca3 Cd1 Ca4 Sb3A 0.0 1_545 . . 7 ?
Ca3 Cd1 Ca4 Sb3A 0.0 9_565 . . . ?
Ca3 Cd1 Ca4 Sb3B 0.0 1_545 . . 7 ?
Ca3 Cd1 Ca4 Sb3B 180.0 9_565 . . 7 ?
Ca3 Cd1 Ca4 Sb3B 180.0 1_545 . . . ?
Ca3 Cd1 Ca4 Sb3B 0.0 9_565 . . . ?
Ca3 Cd1 Ca4 Sb5 -90.000(0) 9_565 . . 9 ?
Ca3 Cd1 Ca4 Sb5 -90.000(0) 1_545 . . . ?
Ca3 Cd1 Ca4 Sb5 90.0 1_545 . . 9 ?
Ca3 Cd1 Ca4 Sb5 90.000(0) 9_565 . . . ?
Ca3 Cd1 Ca4 Ca1 57.728(14) 9_565 . . . ?
Ca3 Cd1 Ca4 Ca1 122.273(14) 1_545 . . 10 ?
Ca3 Cd1 Ca4 Ca1 -57.727(14) 9_565 . . 10 ?
Ca3 Cd1 Ca4 Ca1 -122.273(14) 9_565 . . 7 ?
Ca3 Cd1 Ca4 Ca1 -122.272(14) 1_545 . . . ?
Ca3 Cd1 Ca4 Ca1 57.727(14) 1_545 . . 7 ?

_olex2_submission_special_instructions 'No special instructions were received'
