LMucko/crystallography-open-database huggingface dataset:
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 223.3 K
Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.; American Mineralogist 96 (2011) 1593–1605; doi:10.2138/am.2011.3714

data_9014097
_publ_section_title
;
 Static disorders of atoms and experimental determination of Debye temperature in
 pyrope: Low- and high-temperature single-crystal X-ray diffraction study
 Note: T = 223.3 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1593
_journal_page_last               1605
_journal_paper_doi               10.2138/am.2011.3714
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.4508
_cell_length_b                   11.4508
_cell_length_c                   11.4508
_cell_formula_units_Z            8
_cell_volume                     1501.438
_database_code_amcsd             0018539
_exptl_crystal_density_diffrn    3.567
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9014097
Cation distribution in the structure of titanium-containing ludwigite Note: to be the mineral azoproite, Ti+Mg must be greater than Fe3+ in M4 site Note: Uiso values have been divided by 100
Brovkin, A. A.; Rozhdestvenskaya, I. V.; Rykova, E. A.; Crystallography Reports 47 (2002) 412–414; doi:10.1134/1.1481926

data_9014098
_publ_section_title
;
 Cation distribution in the structure of titanium-containing ludwigite
 Note: to be the mineral azoproite, Ti+Mg must be greater than Fe3+ in M4 site
 Note: Uiso values have been divided by 100
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              412
_journal_page_last               414
_journal_paper_doi               10.1134/1.1481926
_journal_volume                  47
_journal_year                    2002
_chemical_compound_source        'Tazheran massif'
_chemical_formula_sum            'Al0.2 B2 Fe1.404 Mg3.976 O10 Ti0.42'
_chemical_name_mineral           Ludwigite
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.260
_cell_length_b                   12.294
_cell_length_c                   3.0236
_cell_formula_units_Z            2
_cell_volume                     344.214
_database_code_amcsd             0018467
_exptl_crystal_density_diffrn    3.687
_cod_original_formula_sum        'Mg3.976 Fe1.404 Ti.42 Al.2 B2 O10'
_cod_database_code               9014098
Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part I. Crystal structure of hereroite, [Pb32O20(O,[_])](AsO4)2[(Si,As,V,Mo)O4]2Cl10
Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Spratt, J.; American Mineralogist 98 (2013) 248–255; doi:10.2138/am.2013.4241

data_9014099
_publ_section_title
;
 Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures:
 Part I. Crystal structure of hereroite, [Pb32O20(O,[_])](AsO4)2[(Si,As,V,Mo)O4]2Cl10
;
_journal_name_full               'American Mineralogist'
_journal_page_first              248
_journal_page_last               255
_journal_paper_doi               10.2138/am.2013.4241
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Kombat mine, Grootfontein, Namibia'
_chemical_formula_sum            'As2.56 Cl9 Mo0.16 O36.7 Pb32 Si0.96 V0.32'
_chemical_name_mineral           Hereroite
_space_group_IT_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                 102.090
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.139
_cell_length_b                   22.684
_cell_length_c                   12.389
_cell_volume                     6358.568
_database_code_amcsd             0019741
_exptl_crystal_density_diffrn    8.134
_cod_original_formula_sum        'Pb32 Si.96 As2.56 V.32 Mo.16 Cl9 O36.7'
_cod_database_code               9014099
Ueber die Kristallstrukturen der Rubidium- und Caesiumsesquioxyde _cod_database_code 1010171
Helms, A.; Klemm, W.; Zeitschrift fur Anorganische und Allgemeine Chemie 242 (1939) 201–214; doi:

data_9014100
_publ_section_title
;
 Ueber die Kristallstrukturen der Rubidium- und Caesiumsesquioxyde
 _cod_database_code 1010171
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              201
_journal_page_last               214
_journal_volume                  242
_journal_year                    1939
_chemical_formula_sum            'O3 Rb4'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.3
_cell_length_b                   9.3
_cell_length_c                   9.3
_cell_formula_units_Z            4
_cell_volume                     804.357
_database_code_amcsd             0017107
_exptl_crystal_density_diffrn    3.219
_cod_duplicate_entry             1010171
_cod_database_code               9014100
_amcsd_formula_title             'O6 Rb4'
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.5, run 22
Nagashima, M.; Akasada, M.; American Mineralogist 95 (2010) 1237–1246; doi:10.2138/am.2010.3418

data_9014101
_publ_section_title
;
 X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join
 Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis
 Sample: q=0.5, run 22
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1237
_journal_page_last               1246
_journal_paper_doi               10.2138/am.2010.3418
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3'
_chemical_name_mineral           Epidote
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.435
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.8817
_cell_length_b                   5.6543
_cell_length_c                   10.1630
_cell_volume                     460.914
_database_code_amcsd             0016951
_exptl_crystal_density_diffrn    3.462
_cod_original_formula_sum        'Ca2 Al2.08 Fe.39 Mn.53 Si3 O13 H'
_cod_database_code               9014101
Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4 T = 23 K
Lo Presti, L.; Destro, R.; Journal of Chemical Physics 128 (2008) 044710–044719; doi:10.1063/1.2822160

data_9014102
_publ_section_title
;
 Experimental and theoretical charge density distribution of the colossal
 magnetoresistive transition metal sulfide FeCr2S4
 T = 23 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              044710
_journal_page_last               044719
_journal_paper_doi               10.1063/1.2822160
_journal_volume                  128
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 Fe S4'
_chemical_name_mineral           Daubreelite
_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                   9.9763
_cell_length_b                   9.9763
_cell_length_c                   9.9763
_cell_formula_units_Z            8
_cell_volume                     992.907
_database_code_amcsd             0017554
_exptl_crystal_density_diffrn    3.855
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Fe Cr2 S4'
_cod_database_code               9014102
The polar phase of NaNbO3: a combined study by powder diffraction, solid-state NMR and first-principles calculations Note: this is a polymorph of lueshite
Johnston, K. E.; Tang, C. C.; Parker, J. E.; Knight, K. S.; Lightfoot, P.; Ashbrook, S. E.; Journal of the American Chemical Society 132 (2010) 8732–8746; doi:10.1021/ja101860r

data_9014103
_publ_section_title
;
 The polar phase of NaNbO3: a combined study by powder diffraction,
 solid-state NMR and first-principles calculations
 Note: this is a polymorph of lueshite
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8732
_journal_page_last               8746
_journal_paper_doi               10.1021/ja101860r
_journal_volume                  132
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na Nb O3'
_chemical_name_mineral           Lueshite
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.571
_cell_length_b                   7.766
_cell_length_c                   5.513
_cell_volume                     238.517
_database_code_amcsd             0018685
_exptl_crystal_density_diffrn    4.564
_cod_original_formula_sum        'Nb Na O3'
_cod_database_code               9014103
Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 1
Camara, F.; Ottolini, L.; Hawthorne, F. C.; American Mineralogist 87 (2000) 1437–1442; doi:

data_9014104
_publ_section_title
;
 Crystal chemistry of three tourmalines by SREF, EMPA and SIMS
 Sample: Crystal 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1437
_journal_page_last               1442
_journal_volume                  87
_journal_year                    2000
_chemical_compound_source        Madagascar
_chemical_formula_sum
'Al4.56 B3 Ca0.48 F0.18 Fe2.01 H6.18 K0.01 Mg2.19 Na0.49 O30.82 Si6 Ti0.21'
_chemical_name_mineral           Dravite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   16.017
_cell_length_b                   16.017
_cell_length_c                   7.256
_cell_volume                     1612.094
_database_code_amcsd             0002913
_exptl_crystal_density_diffrn    3.193
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.49 Ca.48 K.01 Mg2.19 Fe2.01 Ti.21 Al4.56 Si6 B3 O30.82 F.18 H6.18'
_cod_database_code               9014104
Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Note: Sample NMBE 34974
Armbruster, T.; Schweizerische Mineralogische und Petrographische Mitteilungen 80 (2000) 279–284; doi:

data_9014105
_publ_section_title
;
 Cation distribution in Mg, Mn-bearing babingtonite from Arvigo,
 Val Calanca, Grisons, Switzerland
 Note: Sample NMBE 34974
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              279
_journal_page_last               284
_journal_volume                  80
_journal_year                    2000
_chemical_compound_source        'Arvigo, Val Calanca, Grisons, Switzerland'
_chemical_formula_sum            'Al0.03 Ca2 Fe1.366 H Mg0.344 Mn0.26 O15 Si5'
_chemical_name_mineral           Babingtonite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.10
_cell_angle_beta                 93.92
_cell_angle_gamma                112.08
_cell_formula_units_Z            2
_cell_length_a                   7.480
_cell_length_b                   12.159
_cell_length_c                   6.678
_cell_volume                     560.910
_database_code_amcsd             0018475
_exptl_crystal_density_diffrn    3.324
_cod_original_cell_volume        560.911
_cod_original_formula_sum        'Ca2 Fe1.366 Mn.26 Mg.344 Al.03 Si5 H O15'
_cod_database_code               9014105
The structure of the modifications of manganese oxide
Kondrashev, Y. D.; Zaslavskii, A. I.; Izvestiya Akademii Nauk SSSR 15 (1951) 179–186; doi:

data_9014106
_publ_section_title
;
 The structure of the modifications of manganese oxide
;
_journal_name_full               'Izvestiya Akademii Nauk SSSR'
_journal_page_first              179
_journal_page_last               186
_journal_volume                  15
_journal_year                    1951
_chemical_formula_sum            'Mn0.5 O'
_chemical_name_mineral           Akhtenskite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.786
_cell_length_b                   2.786
_cell_length_c                   4.412
_cell_formula_units_Z            2
_cell_volume                     29.657
_database_code_amcsd             0017794
_exptl_crystal_density_diffrn    4.868
_cod_original_formula_sum        'Mn.5 O'
_cod_database_code               9014106
Mejillonesite, a new acid sodium, magnesium phosphate mineral, from Mejillones, Antofagasta, Chile
Atencio, D.; Chukanov, N. V.; Nestola, F.; Witzke, T.; Coutinho, J. M. V.; Zadov, A. E.; Contreira, R. R.; Farber, G.; American Mineralogist 97 (2012) 19–25; doi:10.2138/am.2012.3867

data_9014107
_publ_section_title
;
 Mejillonesite, a new acid sodium, magnesium phosphate mineral,
 from Mejillones, Antofagasta, Chile
;
_journal_name_full               'American Mineralogist'
_journal_page_first              19
_journal_page_last               25
_journal_paper_doi               10.2138/am.2012.3867
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Mejillones, Antofagasta, Chile'
_chemical_formula_sum            'H7 Mg2 Na O11 P2'
_chemical_name_mineral           Mejillonesite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.295
_cell_length_b                   13.009
_cell_length_c                   8.434
_cell_volume                     1787.853
_database_code_amcsd             0018764
_exptl_crystal_density_diffrn    2.352
_cod_original_formula_sum        'Na Mg2 P2 O11 H7'
_cod_database_code               9014107
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 45 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_9014108
_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 650 C
 Annealing time = 45 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 Fe0.39 Mg1.001 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                   8.1462
_cell_length_b                   8.1462
_cell_length_c                   8.1462
_cell_formula_units_Z            8
_cell_volume                     540.587
_database_code_amcsd             0019288
_exptl_crystal_density_diffrn    3.773
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.609 Mg1.001 Fe.39) O4'
_cod_database_code               9014108
Etude crystallographique de sulfures de terres rares et de sodium _cod_database_code 1008971
Ballestracci, R.; Bertaut, E.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 87 (1964) 512–517; doi:

data_9014109
_publ_section_title
;
 Etude crystallographique de sulfures de terres rares et de sodium
 _cod_database_code 1008971
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              512
_journal_page_last               517
_journal_volume                  87
_journal_year                    1964
_chemical_formula_sum            'Na0.5 Nd0.5 S'
_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                   5.803
_cell_length_b                   5.803
_cell_length_c                   5.803
_cell_formula_units_Z            4
_cell_volume                     195.415
_database_code_amcsd             0016834
_exptl_crystal_density_diffrn    3.932
_cod_duplicate_entry             1008971
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Na.5 Nd.5) S'
_cod_database_code               9014109
_amcsd_formula_title             'Na Nd S2'
The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8 _cod_database_code 1011207
Lindqvist, M.; Lindqvist, D.; Westgren, A.; Svensk Kemisk Tidskrift 48 (1936) 156–160; doi:

data_9014110
_publ_section_title
;
 The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8
 _cod_database_code 1011207
;
_journal_name_full               'Svensk Kemisk Tidskrift'
_journal_page_first              156
_journal_page_last               160
_journal_volume                  48
_journal_year                    1936
_chemical_formula_sum            'Fe4.5 Ni4.5 S8'
_chemical_name_mineral           Pentlandite
_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                   10.09
_cell_length_b                   10.09
_cell_length_c                   10.09
_cell_formula_units_Z            4
_cell_volume                     1027.244
_database_code_amcsd             0018077
_exptl_crystal_density_diffrn    4.991
_cod_duplicate_entry             1011207
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Fe4.5 Ni4.5) S8'
_cod_database_code               9014110
High-pressure behavior of zoisite Note: P = 4.025 GPa
Alvaro, M.; Angel, R. J.; Camara, F.; American Mineralogist 97 (2012) 1165–1176; doi:10.2138/am.2012.4014

data_9014111
_publ_section_title
;
 High-pressure behavior of zoisite
 Note: P = 4.025 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1165
_journal_page_last               1176
_journal_paper_doi               10.2138/am.2012.4014
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Merelani Hills, Tanzania'
_chemical_formula_sum            'Al3 Ca2 H O13 Si3'
_chemical_name_mineral           Zoisite
_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_formula_units_Z            4
_cell_length_a                   16.1124
_cell_length_b                   5.4917
_cell_length_c                   9.9110
_cell_volume                     876.970
_database_code_amcsd             0019075
_exptl_crystal_density_diffrn    3.441
_cod_original_formula_sum        'Si3 Al3 Ca2 O13 H'
_cod_database_code               9014111
Etude structurale du metaniobate de plombe rhomboedrique II. - Positions des atomes
Mahe, R.; Bulletin de la Societe Chimique de France 1967 (1967) 1879–1884; doi:

data_9014112
_publ_section_title
;
 Etude structurale du metaniobate de plombe rhomboedrique
 II. - Positions des atomes
;
_journal_name_full               'Bulletin de la Societe Chimique de France'
_journal_page_first              1879
_journal_page_last               1884
_journal_volume                  1967
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Nb2 O6 Pb'
_chemical_name_mineral           Changbaiite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.501
_cell_length_b                   10.501
_cell_length_c                   11.555
_cell_formula_units_Z            9
_cell_volume                     1103.473
_database_code_amcsd             0018892
_exptl_crystal_density_diffrn    6.623
_cod_original_cell_volume        1103.474
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Pb Nb2 O6'
_cod_database_code               9014112
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 27.44 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_9014113
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 27.44 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                   3.468
_cell_length_b                   3.468
_cell_length_c                   3.468
_cell_formula_units_Z            4
_cell_volume                     41.710
_database_code_amcsd             0019426
_exptl_crystal_density_diffrn    8.893
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9014113