LMucko/crystallography-open-database huggingface dataset:
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K
Thomas, J. O.; Tellgren, R.; Olovsson, I.; Acta Crystallographica, Section B 30 (1974) 1155–1166; doi:10.1107/S0567740874004481

data_9016501
_publ_section_title
;
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
 of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K
 Note: T = 95 K
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1155
_journal_page_last               1166
_journal_paper_doi               10.1107/S0567740874004481
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C D K O3'
_chemical_name_mineral           Kalicinite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.953
_cell_angle_gamma                90
_cell_length_a                   15.1311
_cell_length_b                   5.6054
_cell_length_c                   3.6644
_cell_formula_units_Z            4
_cell_volume                     301.629
_database_code_amcsd             0018507
_exptl_crystal_density_diffrn    2.227
_cod_original_formula_sum        'K D C O3'
_cod_database_code               9016501
Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada
Capitelli, F.; Chita, G.; Cavallo, A.; Bellatreccia, F.; Ventura, G.; Zeitschrift fur Kristallographie 226 (2011) 731–738; doi:

data_9016502
_publ_section_title
;
 Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              731
_journal_page_last               738
_journal_volume                  226
_journal_year                    2011
_chemical_compound_source        'Crosscut Creek, Yukon, Canada'
_chemical_formula_sum            'Al2 Ca0.95 Fe0.9 H18 Mg2 Na0.11 O26 P4'
_chemical_name_mineral           Whiteite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.110
_cell_angle_gamma                90
_cell_length_a                   14.8700
_cell_length_b                   6.9785
_cell_length_c                   9.9268
_cell_formula_units_Z            2
_cell_volume                     967.306
_database_code_amcsd             0019137
_exptl_crystal_density_diffrn    2.580
_cod_original_formula_sum        'Al2 Mg2 Ca.95 Na.11 Fe.9 P4 O26 H18'
_cod_database_code               9016502
Djurleite (Cu1.94S) and low chalcocite (Cu2S): New crystal structure studies
Evans, H. T.; Science 203 (1979) 356–358; doi:10.1126/science.203.4378.356

data_9016503
_publ_section_title
;
 Djurleite (Cu1.94S) and low chalcocite (Cu2S): New crystal structure studies
;
_journal_name_full               Science
_journal_page_first              356
_journal_page_last               358
_journal_paper_doi               10.1126/science.203.4378.356
_journal_volume                  203
_journal_year                    1979
_chemical_compound_source        'Ozark Lead Co. mine, Sweetwater, Missouri'
_chemical_formula_sum            'Cu62 S31'
_chemical_name_mineral           Djurleite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.13
_cell_angle_gamma                90
_cell_length_a                   26.897
_cell_length_b                   15.745
_cell_length_c                   13.565
_cell_formula_units_Z            4
_cell_volume                     5744.671
_database_code_amcsd             0019203
_exptl_crystal_density_diffrn    5.705
_cod_database_code               9016503
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9016504
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 22,620 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.609 Fe0.389 Mg O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1461
_cell_length_b                   8.1461
_cell_length_c                   8.1461
_cell_formula_units_Z            8
_cell_volume                     540.567
_database_code_amcsd             0019278
_exptl_crystal_density_diffrn    3.771
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.609 Mg Fe.389 O4'
_cod_database_code               9016504
Raumgitter von Komplexsalzen _cod_database_code 1010641
Stoll, P.; Dissertation ETH Zurich 1 (1926) 1–46; doi:

data_9016505
_publ_section_title
;
 Raumgitter von Komplexsalzen
 _cod_database_code 1010641
;
_journal_name_full               'Dissertation ETH Zurich'
_journal_page_first              1
_journal_page_last               46
_journal_volume                  1
_journal_year                    1926
_chemical_formula_sum            'Co I3 N6'
_space_group_IT_number           224
_symmetry_space_group_name_Hall  '-P 4bc 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.92
_cell_length_b                   10.92
_cell_length_c                   10.92
_cell_formula_units_Z            4
_cell_volume                     1302.171
_database_code_amcsd             0017523
_exptl_crystal_density_diffrn    2.671
_cod_duplicate_entry             1010641
_cod_original_sg_symbol_H-M      'P n 3 m'
_cod_database_code               9016505
_amcsd_formula_title             'Co H18 I3 N6'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 17.47 GPa, T = 1073 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9016506
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 17.47 GPa, T = 1073 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.507
_cell_length_b                   3.507
_cell_length_c                   3.507
_cell_formula_units_Z            4
_cell_volume                     43.133
_database_code_amcsd             0019455
_exptl_crystal_density_diffrn    8.600
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9016506
The Structure of Caesium Cobalt Chloride ( Cs3 Co Cl5 ) _cod_database_code 1010481
Powell, H.; Wells, A.; Journal of the Chemical Society 1935 (1935) 359–362; doi:

data_9016507
_publ_section_title
;
 The Structure of Caesium Cobalt Chloride ( Cs3 Co Cl5 )
 _cod_database_code 1010481
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              359
_journal_page_last               362
_journal_volume                  1935
_journal_year                    1935
_chemical_formula_sum            'Cl5 Co Cs5'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.18
_cell_length_b                   9.18
_cell_length_c                   14.47
_cell_formula_units_Z            4
_cell_volume                     1219.422
_database_code_amcsd             0017397
_exptl_crystal_density_diffrn    4.906
_cod_duplicate_entry             1010481
_cod_original_formula_sum        'Cs5 Cl5 Co'
_cod_database_code               9016507
_amcsd_formula_title             'Cl5 Co Cs3'
Les bronzes de tungstene pyrophosphates Rbx P4 O8 (W O3)2m: etude structural du compose le plus riche en phosphore (Rb2P8W16O64) _cod_database_code 1001333
Giroult, J.; Goreaux, M.; Labbe, P.; Raveau, B.; Revue de Chimie Minerale 20 (1983) 829–836; doi:

data_9016508
_publ_section_title
;
 Les bronzes de tungstene pyrophosphates Rbx P4 O8 (W O3)2m:
 etude structural du compose le plus riche en phosphore (Rb2P8W16O64)
 _cod_database_code 1001333
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              829
_journal_page_last               836
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'O32 Rb W8'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.32
_cell_angle_gamma                90
_cell_length_a                   10.181
_cell_length_b                   7.519
_cell_length_c                   17.156
_cell_formula_units_Z            2
_cell_volume                     1206.021
_database_code_amcsd             0015395
_exptl_crystal_density_diffrn    5.695
_cod_duplicate_entry             1001333
_cod_original_formula_sum        'Rb W8 O32'
_cod_database_code               9016508
_amcsd_formula_title             Rb2P8W16O64
Crystal chemistry of RE(CO3)OH
Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.; Zeitschrift fur Kristallographie 222 (2007) 326–334; doi:

data_9016509
_publ_section_title
;
 Crystal chemistry of RE(CO3)OH
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              326
_journal_page_last               334
_journal_volume                  222
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H O4 Tm'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.3951
_cell_length_b                   9.3951
_cell_length_c                   7.7546
_cell_volume                     684.482
_database_code_amcsd             0019389
_exptl_crystal_density_diffrn    4.773
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_original_formula_sum        'Tm C (O4 H)'
_cod_database_code               9016509
_amcsd_formula_title             Tm(CO3)OH
Über die Kristallstruktur des primären Kaliumphosphats KH~2~PO~4~ und isomorpher Salze
Hassel, O.; Zeitschrift für Elektrochemie und angewandte physikalische Chemie 31 (1925) 523–529; doi:10.1002/bbpc.19250311006

data_9016510
_publ_section_title
;
 \"Uber die Kristallstruktur des prim\"aren Kaliumphosphats KH~2~PO~4~ und
 isomorpher Salze
;
_journal_coden_ASTM              ZEELAI
_journal_issue                   10
_journal_name_full
;
 Zeitschrift f\"ur Elektrochemie und angewandte physikalische Chemie
;
_journal_page_first              523
_journal_page_last               529
_journal_paper_doi               10.1002/bbpc.19250311006
_journal_volume                  31
_journal_year                    1925
_chemical_formula_sum            'K P'
_chemical_name_systematic        'Potassium dihydrogenphosphate'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.42
_cell_length_b                   7.42
_cell_length_c                   6.97
_cell_volume                     383.743
_database_code_amcsd             0017460
_exptl_crystal_density_diffrn    1.213
_cod_duplicate_entry             1010576
_cod_original_formula_sum        'P K'
_cod_database_code               9016510
_amcsd_formula_title             'H2 K O4 P'
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl90dm
Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.; American Mineralogist 97 (2012) 1821–1827; doi:10.2138/am.2012.4177

data_9016511
_publ_section_title
;
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl90dm
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1821
_journal_page_last               1827
_journal_paper_doi               10.2138/am.2012.4177
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Cu0.7 Mg0.3 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0831
_cell_length_b                   8.0831
_cell_length_c                   8.0831
_cell_formula_units_Z            8
_cell_volume                     528.122
_database_code_amcsd             0019570
_exptl_crystal_density_diffrn    4.269
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cu.7 Mg.3 Al2 O4'
_cod_database_code               9016511
_amcsd_formula_title             (Cu.70Mg.30)Al2O4
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 190 K
Rinaldi, R.; Gatta, G. D.; Angel, R. J.; American Mineralogist 95 (2010) 1413–1421; doi:10.2138/am.2010.3536

data_9016512
_publ_section_title
;
 Crystal chemistry and low-temperature behavior of datolite:
 a single-crystal X-ray diffraction study
 Note: T = 190 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1413
_journal_page_last               1421
_journal_paper_doi               10.2138/am.2010.3536
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Valmozzola, Parma, Italy'
_chemical_formula_sum            'B Ca H O5 Si'
_chemical_name_mineral           Datolite
_space_group_IT_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                 90.176
_cell_angle_gamma                90
_cell_length_a                   4.8308
_cell_length_b                   7.6011
_cell_length_c                   9.6290
_cell_formula_units_Z            4
_cell_volume                     353.569
_database_code_amcsd             0017708
_exptl_crystal_density_diffrn    3.005
_cod_original_formula_sum        'Ca B Si O5 H'
_cod_database_code               9016512
A mixed valent molybdenum monophosphate with an original cage structure Cs Mo6 O10 (Mo2 O7) (P O4)4 _cod_database_code 1001806
Hoareau, T.; Leclaire, A.; Borel, M.; Provost, J.; Raveau, B.; Journal of Solid State Chemistry 128 (1997) 233–240; doi:10.1006/jssc.1996.7195

data_9016513
_publ_section_title
;
 A mixed valent molybdenum monophosphate with an original cage structure
 Cs Mo6 O10 (Mo2 O7) (P O4)4
 _cod_database_code 1001806
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              233
_journal_page_last               240
_journal_paper_doi               10.1006/jssc.1996.7195
_journal_volume                  128
_journal_year                    1997
_chemical_formula_sum            'Cs0.5 Mo4 O16.5 P2'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.953
_cell_length_b                   9.953
_cell_length_c                   26.41299
_cell_formula_units_Z            8
_cell_volume                     2616.529
_database_code_amcsd             0013917
_exptl_crystal_density_diffrn    3.941
_cod_duplicate_entry             1001806
_cod_original_formula_sum        'Mo4 Cs.5 P2 O16.5'
_cod_database_code               9016513
_amcsd_formula_title             'Cs Mo8 O33 P4'
Refined crystal structure of vinogradovite
Rastsvetaeva, R. K.; Andrianov, V. I.; Soviet Physics Crystallography 29 (1984) 403–406; doi:

data_9016514
_publ_section_title
;
 Refined crystal structure of vinogradovite
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              403
_journal_page_last               406
_journal_volume                  29
_journal_year                    1984
_chemical_compound_source        'Kola peninsula, Russia'
_chemical_formula_sum            'H1.68 Na O7.34 Si2 Ti'
_chemical_name_mineral           Vinogradovite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.43
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.219
_cell_length_b                   8.691
_cell_length_c                   25.01
_cell_volume                     1098.624
_database_code_amcsd             0019786
_exptl_crystal_density_diffrn    2.977
_cod_original_formula_sum        'Na Ti Si2 O7.34 H1.68'
_cod_database_code               9016514
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo
Yamazaki, S.; Toraya, H.; Journal of Applied Crystallography 32 (1999) 51–59; doi:10.1107/S0021889898010206

data_9016515
_publ_section_title
;
 Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4
 using a new weight function in least-squares fitting
 Note: e = eo
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              51
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889898010206
_journal_volume                  32
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg Mn O4 Si'
_chemical_name_mineral           Tephroite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.45100
_cell_length_b                   6.12446
_cell_length_c                   4.80757
_cell_formula_units_Z            4
_cell_volume                     307.717
_database_code_amcsd             0019689
_exptl_crystal_density_diffrn    3.698
_cod_original_formula_sum        '(Mg Mn) Si O4'
_cod_database_code               9016515
_cod_duplicate_entry 9015074
Etudes structurales et magnetiques de formes cubiques et rhomboedriques Ln Fe2 Hx, Ln=Er,Tb _cod_database_code 1008877
Fruchart, D.; Berthier, Y.; De Saxce, T.; Vulliet, P.; Journal of Solid State Chemistry 67 (1987) 197–209; doi:10.1016/0022-4596(87)90355-0

data_9016516
_publ_section_title
;
 Etudes structurales et magnetiques de formes cubiques et rhomboedriques
 Ln Fe2 Hx, Ln=Er,Tb
 _cod_database_code 1008877
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              197
_journal_page_last               209
_journal_paper_doi               10.1016/0022-4596(87)90355-0
_journal_volume                  67
_journal_year                    1987
_chemical_formula_sum            'Er Fe2 H3'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                91.2
_cell_angle_beta                 91.2
_cell_angle_gamma                91.2
_cell_length_a                   7.815
_cell_length_b                   7.815
_cell_length_c                   7.815
_cell_formula_units_Z            8
_cell_volume                     476.977
_database_code_amcsd             0016744
_exptl_crystal_density_diffrn    7.853
_cod_duplicate_entry             1008877
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9016516
_amcsd_formula_title             'Er Fe2 H3.45'
Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,
Kjekshus, A.; Rakke, T.; Acta Chemica Scandinavica A 28 (1974) 99–103; doi:

data_9016517
_publ_section_title
;
 Compounds with the skutterudite type crystal structure.
 III. Structural data for arsenides and antimonides,
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              99
_journal_page_last               103
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As3 Ir'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4673
_cell_length_b                   8.4673
_cell_length_c                   8.4673
_cell_formula_units_Z            8
_cell_volume                     607.065
_database_code_amcsd             0017608
_exptl_crystal_density_diffrn    9.125
_cod_original_sg_symbol_H-M      'I m 3'
_cod_original_formula_sum        'Ir As3'
_cod_database_code               9016517
_amcsd_formula_title             IrAs3
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 22.44 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9016518
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 22.44 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.494
_cell_length_b                   3.494
_cell_length_c                   3.494
_cell_formula_units_Z            4
_cell_volume                     42.655
_database_code_amcsd             0019441
_exptl_crystal_density_diffrn    8.696
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9016518
_cod_duplicate_entry 9015687