LMucko/crystallography-open-database huggingface dataset:
Crystal structure of catena[(tetraaqua-bis(μ2-(4,4'-bipyridine-κ2N:N'))- nickel(II)][(diaqua-bis(3-methyl-4-amino-benzensulphonate-κ1O)-bis(μ2- (4,4'-bipyridine-κ2N:N'))nickel(II)]—3-methyl-4-aminobenzensulphonate— ethanol (1:2:2), C52H72N8Ni2O20S4
Han, Min-Le; Du, De-Guang; Zeitschrift für Kristallographie - New Crystal Structures 230 (2015) 41–43; doi:10.1515/ncrs-2014-0222

data_8107648
_publ_section_title
;
 Crystal structure of
 catena[(tetraaqua-bis(\m2-(4,4'-bipyridine-\k2N:N'))-
 nickel(II)][(diaqua-bis(3-methyl-4-amino-benzensulphonate-\k1O)-bis(\m2-
 (4,4'-bipyridine-\k2N:N'))nickel(II)]---3-methyl-4-aminobenzensulphonate---
 ethanol (1:2:2), C52H72N8Ni2O20S4
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              41
_journal_page_last               43
_journal_paper_doi               10.1515/ncrs-2014-0222
_journal_volume                  230
_journal_year                    2015
_chemical_formula_sum            'C52 H72 N8 Ni2 O20 S4'
_chemical_formula_weight         1374.80
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   14.604(1)
_cell_length_b                   18.865(2)
_cell_length_c                   11.0673(9)
_cell_volume                     3049.1(5)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.834
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             1440
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5111
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_gt          0.0727
_cod_data_source_file            Z-2015-041.cif
_cod_data_source_block           1
_cod_database_code               8107648
Crystal structure of tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tertbutyl) benzoyl)pyridine-2-amine)rhenium(I), C24H21ClN3O4Re
Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard; Zeitschrift für Kristallographie - New Crystal Structures 230 (2015) 44–46; doi:10.1515/ncrs-2014-9029

data_8107649
_publ_section_title
;
 Crystal structure of
 tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tertbutyl)
 benzoyl)pyridine-2-amine)rhenium(I), C24H21ClN3O4Re
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              44
_journal_page_last               46
_journal_paper_doi               10.1515/ncrs-2014-9029
_journal_volume                  230
_journal_year                    2015
_chemical_formula_sum            'C24 H21 Cl N3 O4 Re'
_chemical_formula_weight         637.10
_chemical_name_common
;
Crystal structure of tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tert-
butyl)benzoyl)pyridine-2-amine)rhenium(I)
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.270(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   22.178(1)
_cell_length_b                   12.4411(5)
_cell_length_c                   17.1519(7)
_cell_volume                     4732.5(3)
_diffrn_ambient_temperature      200
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.284
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             2480
_refine_ls_number_parameters     301
_refine_ls_number_reflns         4711
_refine_ls_R_factor_gt           0.0179
_refine_ls_wR_factor_gt          0.0376
_cod_data_source_file            Z-2015-044.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8107649
Crystal structure of 1,5-bis((1E)-4-hydroxy-3-methoxybenzylidene)- thiocarbonohydrazide ethanol solvate, at 200 K, C19H24N4O5S
Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C; Betz, Richard; Zeitschrift für Kristallographie - New Crystal Structures 230 (2015) 47–49; doi:10.1515/ncrs-2014-0228

data_8107650
_publ_section_title
;
 Crystal structure of 1,5-bis((1E)-4-hydroxy-3-methoxybenzylidene)-
 thiocarbonohydrazide ethanol solvate, at 200 K, C19H24N4O5S
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              47
_journal_page_last               49
_journal_paper_doi               10.1515/ncrs-2014-0228
_journal_volume                  230
_journal_year                    2015
_chemical_formula_sum            'C19 H24 N4 O5 S'
_chemical_formula_weight         420.48
_chemical_name_common
;
1,5-bis((1E)-4-hydroxy-3-methoxybenzylidene)-
thiocarbonohydrazide ethanol solvate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 102.164(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.0847(2)
_cell_length_b                   9.9392(2)
_cell_length_c                   19.5046(3)
_cell_volume                     2100.64(7)
_diffrn_ambient_temperature      200
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.192
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             888
_refine_ls_number_parameters     303
_refine_ls_number_reflns         4311
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_gt          0.1069
_cod_data_source_file            Z-2015-047.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8107650
Structural Characterisation of the Li Argyrodites Li7PS6 and Li7PSe6 and their Solid Solutions: Quantification of Site Preferences by MAS‐NMR Spectroscopy
Kong, Shiao Tong; Gün, Özgül; Koch, Barbara; Deiseroth, Hans Jörg; Eckert, Hellmut; Reiner, Christof; Chemistry – A European Journal 16 (2010) 5138–5147; doi:10.1002/chem.200903023

data_1570300
_publ_section_title
;
 Structural Characterisation of the Li Argyrodites Li7PS6 and Li7PSe6 and
 their Solid Solutions: Quantification of Site Preferences by
 MAS&#x2010;NMR Spectroscopy
;
_journal_issue                   17
_journal_name_full               'Chemistry -- A European Journal'
_journal_page_first              5138
_journal_page_last               5147
_journal_paper_doi               10.1002/chem.200903023
_journal_volume                  16
_journal_year                    2010
_chemical_formula_structural     'Li7 (P Se4) Se2'
_chemical_formula_sum            'Li7 P Se6'
_chemical_formula_weight         553.3
_chemical_name_systematic
'Heptalithium disulfid tetrasulfidophosphate(V)'
_space_group_IT_number           216
_space_group_name_Hall           'F -4 2 3'
_space_group_name_H-M_alt        'F -4 3 m'
_symmetry_cell_setting           cubic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   10.475(1)
_cell_length_b                   10.475(1)
_cell_length_c                   10.475(1)
_cell_measurement_temperature    453
_cell_volume                     1149.38(19)
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71973
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_number            3484
_exptl_absorpt_coefficient_mu    19.17
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.290
_refine_ls_goodness_of_fit_all   1.141
_refine_ls_number_parameters     12
_refine_ls_number_reflns         214
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0268
_refine_ls_wR_factor_ref         0.0429
_reflns_number_total             214
_cod_data_source_file            Li7PSe6.cif
_cod_data_source_block           1
_cod_original_cell_volume        1149.4(2)
_cod_database_code               1570300
Structure du Tetrathiophosphate de Lithium
Mercier, Rene; Malugani, Jean-Pierre; Fayhs, Bernard; Guy, Robert; Douglade, Jacques; Acta Cryst.  (1982) 1887–1890; doi:10.1107/S0567740882007535

data_2312352
_publ_section_title
;
 Structure du Tetrathiophosphate de Lithium
;
_journal_issue                   B38
_journal_name_full               'Acta Cryst.'
_journal_page_first              1887
_journal_page_last               1890
_journal_paper_doi               10.1107/S0567740882007535
_journal_volume                  B38
_journal_year                    1982
_chemical_formula_structural     'Li3 (P S4)'
_chemical_formula_sum            'Li3 P S4'
_chemical_formula_weight         180.037
_chemical_name_common            'Lithium tetrasulfidophosphate(V)'
_chemical_name_systematic        'Lithium tetrasulfidophosphate(V)'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   13.066(3)
_cell_length_b                   8.015(2)
_cell_length_c                   6.101(2)
_cell_volume                     638.9(3)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            Li3PS4.cif
_cod_data_source_block           1
_cod_original_cell_volume        638.921072
_cod_database_code               2312352
Crystal structure and phase transitions of the lithium ionic conductor Li3PS4
Homma, Kenji; Yonemura, Masao; Kobayashi, Takeshi; Nagao, Miki; Hirayama, Masaaki; Kanno, Ryoji; Solid State Ionics 182 (2011) 53–58; doi:10.1016/j.ssi.2010.10.001

data_1570309
_publ_section_title
;
 Crystal structure and phase transitions of the lithium ionic conductor
 Li3PS4
;
_journal_issue                   1
_journal_name_full               'Solid State Ionics'
_journal_page_first              53
_journal_page_last               58
_journal_paper_doi               10.1016/j.ssi.2010.10.001
_journal_volume                  182
_journal_year                    2011
_chemical_formula_sum            'Li3 P S4'
_chemical_formula_weight         180.037
_chemical_name_common            'Lithium tetrasulfidophosphate(V)'
_chemical_name_systematic        'Lithium tetrasulfidophosphate(V)'
_space_group_IT_number           31
_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   7.70829(11)
_cell_length_b                   6.53521(10)
_cell_length_c                   6.1365(7)
_cell_volume                     309.13(4)
_diffrn_radiation_wavelength     0.601806
_cod_data_source_file            Li3PS4-gamma.cif
_cod_data_source_block           1
_cod_original_cell_volume        307.47(7)
_cod_database_code               1570309
Crystal structure and phase transitions of the lithium ionic conductor Li3PS4
Homma, Kenji; Yonemura, Masao; Kobayashi, Takeshi; Nagao, Miki; Hirayama, Masaaki; Kanno, Ryoji; Solid State Ionics 182 (2011) 53–58; doi:10.1016/j.ssi.2010.10.001

data_1570310
_publ_section_title
;
 Crystal structure and phase transitions of the lithium ionic conductor
 Li3PS4
;
_journal_issue                   1
_journal_name_full               'Solid State Ionics'
_journal_page_first              53
_journal_page_last               58
_journal_paper_doi               10.1016/j.ssi.2010.10.001
_journal_volume                  182
_journal_year                    2011
_chemical_formula_sum            'Li3 P S4'
_chemical_formula_weight         180.037
_chemical_name_common            'Lithium tetrasulfidophosphate(V)'
_chemical_name_systematic        'Lithium tetrasulfidophosphate(V)'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   12.8190(5)
_cell_length_b                   8.2195(4)
_cell_length_c                   6.1236(2)
_cell_measurement_temperature    637
_cell_volume                     645.22(5)
_cod_data_source_file            beta-Li3PS4.cif
_cod_data_source_block           1
_cod_original_cell_volume        645.23(5)
_cod_database_code               1570310
Synthesis, Structural Characterization, and Lithium Ion Conductivity of the Lithium Thiophosphate Li2P2S6
Dietrich, Christian; Weber, Dominik A.; Culver, Sean; Senyshyn, Anatoliy; Sedlmaier, Stefan J.; Indris, Sylvio; Janek, Jürgen; Zeier, Wolfgang G.; Inorganic Chemistry 56 (2017) 6681–6687; doi:10.1021/acs.inorgchem.7b00751

data_4350819
_publ_section_title
;
 Synthesis, Structural Characterization, and Lithium Ion Conductivity of
 the Lithium Thiophosphate Li2P2S6
;
_journal_issue                   11
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6681
_journal_page_last               6687
_journal_paper_doi               10.1021/acs.inorgchem.7b00751
_journal_volume                  56
_journal_year                    2017
_chemical_formula_structural     'Li2 (P2 S6)'
_chemical_formula_sum            'Li2 P2 S6'
_chemical_formula_weight         268.190
_chemical_name_common
'Dilithium di-\m-sulfido-bis(disulfidophosphate(V))'
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 125.5717(14)
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   11.1156(9)
_cell_length_b                   7.0070(7)
_cell_length_c                   6.5251(5)
_cell_volume                     413.38(6)
_cod_data_source_file            Li2P2S6.cif
_cod_data_source_block           1
_cod_original_cell_volume        413.380
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4350819
Crystal structure of a superionic conductor, Li7P3S11
Yamane, H.; Shibata, M.; Shimane, Y.; Junke, T.; Seino, Y.; Adams, S.; Minami, K.; Hayashi, A; Tatsumisago, M.; Solid State Ionics 178 (2007) 1163–1167; doi:10.1016/j.ssi.2007.05.020

data_1570311
_publ_section_title
;
 Crystal structure of a superionic conductor, Li7P3S11
;
_journal_issue                   15-18
_journal_name_full               'Solid State Ionics'
_journal_page_first              1163
_journal_page_last               1167
_journal_paper_doi               10.1016/j.ssi.2007.05.020
_journal_volume                  178
_journal_year                    2007
_chemical_formula_structural     'Li7 (P S4) (P2 S7)'
_chemical_formula_sum            'Li7 P3 S11'
_chemical_name_common
'Heptalithium tetrasulfidophosphate(V) heptasulfidodiphosphate(V)'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                102.845(3)
_cell_angle_beta                 113.2024(18)
_cell_angle_gamma                74.467(3)
_cell_formula_units_Z            2
_cell_length_a                   12.5009(4)
_cell_length_b                   6.03160(17)
_cell_length_c                   12.5303(4)
_cell_volume                     829.35(5)
_cod_data_source_file            Li7P3S11.cif
_cod_data_source_block           global
_cod_original_cell_volume        829.347641
_cod_database_code               1570311
Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography
Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria; Acta Crystallographica Section B 68 (2012) 15–23; doi:10.1107/S010876811104688X

data_9017922
_publ_section_title
;
 Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved
 by manual electron-diffraction tomography
;
_journal_coeditor_code           DK5002
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              15
_journal_page_last               23
_journal_paper_doi               10.1107/S010876811104688X
_journal_volume                  68
_journal_year                    2012
_chemical_compound_source
'Baccu Locci mine, near Villaputzu, Sardinia, Italy'
_chemical_formula_sum            'Cl4 Cu O12 Pb5 Se4'
_chemical_name_mineral           Sarrabusite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.77
_cell_angle_gamma                90
_cell_length_a                   24.917
_cell_length_b                   5.506
_cell_length_c                   14.242
_cell_formula_units_Z            4
_cell_volume                     1912.821
_computing_structure_refinement
;
Petricek, V., Dusek, M. & Palatinus L. (2006). Jana2006.
Structure Determination Software Programs.
Institute of Physics, Praha, Czech Republic.
;
_computing_structure_solution
;
SIR2008 (Burla, Caliandro, Camalli,
Carrozzini, Cascarano, De Caro, Giacovazzo, Polidori, Siliqi, Spagna,
R (2007). J. Appl. Cryst. 40, 609-613)
;
_database_code_amcsd             0018633
_exptl_crystal_density_diffrn    6.074
_cod_data_source_file            11588.cif
_cod_data_source_block           11588
_cod_original_formula_sum        'Pb5 Se4 Cu Cl4 O12'
_cod_related_optimal_entry_code  2105051
_cod_database_code               9017922
The structure of magnetite: Symmetry of cubic spinels Note: Sample 633,MT1B, annealed at 1373 K
Fleet, M. E.; Journal of Solid State Chemistry 62 (1986) 75–82; doi:10.1016/0022-4596(86)90218-5

data_9017923
_publ_section_title
;
 The structure of magnetite: Symmetry of cubic spinels
 Note: Sample 633,MT1B, annealed at 1373 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              75
_journal_page_last               82
_journal_paper_doi               10.1016/0022-4596(86)90218-5
_journal_volume                  62
_journal_year                    1986
_chemical_compound_source        'Natural, not provided'
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3969
_cell_length_b                   8.3969
_cell_length_c                   8.3969
_cell_formula_units_Z            8
_cell_volume                     592.048
_database_code_amcsd             0020589
_exptl_crystal_density_diffrn    5.195
_exptl_crystal_thermal_history   'annealed at 1373 K'
_cod_data_source_file            16795.cif
_cod_data_source_block           16795
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9017923
The structure of magnetite: Symmetry of cubic spinels Note: Sample 633C
Fleet, M. E.; Journal of Solid State Chemistry 62 (1986) 75–82; doi:10.1016/0022-4596(86)90218-5

data_9017924
_publ_section_title
;
 The structure of magnetite: Symmetry of cubic spinels
 Note: Sample 633C
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              75
_journal_page_last               82
_journal_paper_doi               10.1016/0022-4596(86)90218-5
_journal_volume                  62
_journal_year                    1986
_chemical_compound_source        'Natural, not provided'
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3941
_cell_length_b                   8.3941
_cell_length_c                   8.3941
_cell_formula_units_Z            8
_cell_volume                     591.456
_database_code_amcsd             0020587
_exptl_crystal_density_diffrn    5.200
_cod_data_source_file            16793.cif
_cod_data_source_block           16793
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9017924
The structure of magnetite: Symmetry of cubic spinels Note: Sample 633D
Fleet, M. E.; Journal of Solid State Chemistry 62 (1986) 75–82; doi:10.1016/0022-4596(86)90218-5

data_9017925
_publ_section_title
;
 The structure of magnetite: Symmetry of cubic spinels
 Note: Sample 633D
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              75
_journal_page_last               82
_journal_paper_doi               10.1016/0022-4596(86)90218-5
_journal_volume                  62
_journal_year                    1986
_chemical_compound_source        'Natural, not provided'
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3985
_cell_length_b                   8.3985
_cell_length_c                   8.3985
_cell_formula_units_Z            8
_cell_volume                     592.387
_database_code_amcsd             0020588
_exptl_crystal_density_diffrn    5.192
_cod_data_source_file            16794.cif
_cod_data_source_block           16794
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9017925