LMucko/crystallography-open-database huggingface dataset:
The crystal structure of chrysotile H4 Mg3 Si2 O9
Warren, B E; Bragg, W L; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 76 (1931) 201–210; doi:

data_1010960
_publ_section_title
;
The crystal structure of chrysotile H4 Mg3 Si2 O9
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              201
_journal_page_last               210
_journal_volume                  76
_journal_year                    1931
_chemical_compound_source        'from Thedford Mines, Canada'
_chemical_formula_analytical     '(H4 Mg3 Si2 O9)2'
_chemical_formula_structural     '(O H)6 Mg6 Si4 O11 (H2 O)'
_chemical_formula_sum            'H8 Mg6 O18 Si4'
_chemical_name_mineral           Chrysotile
_chemical_name_systematic
;
Hexamagnesium closo-undecaoxodisilicate hexahydroxide hydrate
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.27
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.66
_cell_length_b                   18.5
_cell_length_c                   5.33
_cell_volume                     1443.2
_cod_database_code               1010960
Cementitens kristallstruktur
Westgren, A; Jernkontorets Annaler 1932 (1932) 457–468; doi:

data_1010961
_publ_section_title              'Cementitens kristallstruktur'
_journal_coden_ASTM              JERNAF
_journal_name_full               'Jernkontorets Annaler'
_journal_page_first              457
_journal_page_last               468
_journal_volume                  1932
_journal_year                    1932
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe3 C'
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_chemical_name_systematic        'Iron carbide (3/1)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.517
_cell_length_b                   5.07
_cell_length_c                   6.73
_cell_volume                     154.1
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               1010961
The Crystal Structures of some Carbonates of the Calcite Group
Wyckoff, R W G; American Journal of Science, Serie 4(-1920) 50 (1920) 317–360; doi:

data_1010962
_publ_section_title
;
The Crystal Structures of some Carbonates of the Calcite Group
;
_journal_coden_ASTM              AJSC4K
_journal_name_full               'American Journal of Science, Serie 4(-1920)'
_journal_page_first              317
_journal_page_last               360
_journal_volume                  50
_journal_year                    1920
_chemical_compound_source        'from Iceland'
_chemical_formula_structural     'Ca C O3'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_chemical_name_systematic        'Calcium carbonate'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c RS'
_cell_angle_alpha                46.1
_cell_angle_beta                 46.1
_cell_angle_gamma                46.1
_cell_formula_units_Z            2
_cell_length_a                   6.36
_cell_length_b                   6.36
_cell_length_c                   6.36
_cell_volume                     121.9
_exptl_crystal_density_meas      2.73
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               1010962
An investigation on oxidation of crystal surfaces with electron diffraction method, II.- copper single crystals
Yamaguti, T; Proceedings of the Physico-Mathematical Society of Japan 20 (1938) 230–241; doi:

data_1010963
_publ_section_title
;
An investigation on oxidation of crystal surfaces with electron
diffraction method, II.- copper single crystals
;
_journal_coden_ASTM              PPMJAJ
_journal_name_full
;
Proceedings of the Physico-Mathematical Society of Japan
;
_journal_page_first              230
_journal_page_last               241
_journal_volume                  20
_journal_year                    1938
_chemical_compound_source        synthetic
_chemical_formula_structural     'Cu2 O'
_chemical_formula_sum            'Cu2 O'
_chemical_name_mineral           Cuprite
_chemical_name_systematic        'Copper(I) oxide'
_space_group_IT_number           224
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 4n 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.258(4)
_cell_length_b                   4.258
_cell_length_c                   4.258
_cell_volume                     77.2
_cod_original_sg_symbol_H-M      'P n -3 m S'
_cod_database_code               1010963
The discovery of braggite
Bannister, F A; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 96 (1937) 201–202; doi:

data_1010964
_publ_section_title              'The discovery of braggite'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              201
_journal_page_last               202
_journal_volume                  96
_journal_year                    1937
_chemical_compound_source
;
from Rustenburg and Potgietersrust, S.Africa
;
_chemical_formula_structural     'Pt0.56 Pd0.31 Ni0.13 S'
_chemical_formula_sum            'Ni0.13 Pd0.31 Pt0.56 S'
_chemical_name_mineral           Braggite
_chemical_name_systematic
;
Platinum palladium nickel sulfide (.6/.3/.1/1)
;
_space_group_IT_number           84
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      84
_symmetry_space_group_name_Hall  '-P 4c'
_symmetry_space_group_name_H-M   'P 42/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.37
_cell_length_b                   6.37
_cell_length_c                   6.58
_cell_volume                     267.0
_cod_original_formula_sum        'Ni.13 Pd.31 Pt.56 S'
_cod_database_code               1010964
Ueber Sulfate und Phosphate mit aehnlichem Kristallgitter
Gossner, B; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 96 (1937) 488–492; doi:

data_1010965
_publ_section_title
;
Ueber Sulfate und Phosphate mit aehnlichem Kristallgitter
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              488
_journal_page_last               492
_journal_volume                  96
_journal_year                    1937
_chemical_formula_structural     'K Al3 (S O4)2 (O H)6'
_chemical_formula_sum            'Al3 H6 K O14 S2'
_chemical_name_mineral           Alunite
_chemical_name_systematic
;
Potassium trialuminium hexahydroxide bis(sulfate)
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                59.03
_cell_angle_beta                 59.03
_cell_angle_gamma                59.03
_cell_formula_units_Z            1
_cell_length_a                   7.05
_cell_length_b                   7.05
_cell_length_c                   7.05
_cell_volume                     242.3
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_original_formula_sum        'H6 Al3 K O14 S2'
_cod_database_code               1010965
Roentgenographic observations on ore minerals
Peacock, M A; Berry, L G; University of Toronto Studies, Geological Series 44 (1940) 47–69; doi:

data_1010966
_publ_section_title
;
Roentgenographic observations on ore minerals
;
_journal_coden_ASTM              UTSGAL
_journal_name_full
;
University of Toronto Studies, Geological Series
;
_journal_page_first              47
_journal_page_last               69
_journal_volume                  44
_journal_year                    1940
_chemical_compound_source
;
from Mondoux Claim, Mc-Elroy Township, Timiskaming District,
;
_chemical_formula_structural     '(Pb S)2 Bi2 S3'
_chemical_formula_sum            'Bi2 Pb2 S5'
_chemical_name_mineral           Cosalite
_chemical_name_systematic        'Lead sulfide bismuth sulfide *'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.049990000(29999998)
_cell_length_b                   23.819990000(29999998)
_cell_length_c                   4.047(1)
_cell_volume                     1836.4
_exptl_crystal_density_meas      6.76
_cod_database_code               1010966
Roentgenographic observations on ore minerals
Peacock, M A; Berry, L G; University of Toronto Studies, Geological Series 44 (1940) 47–69; doi:

data_1010967
_publ_section_title
;
Roentgenographic observations on ore minerals
;
_journal_coden_ASTM              UTSGAL
_journal_name_full
;
University of Toronto Studies, Geological Series
;
_journal_page_first              47
_journal_page_last               69
_journal_volume                  44
_journal_year                    1940
_chemical_compound_source        'from Kogrufvan, Nordmark Mines, Sweden'
_chemical_formula_structural     'Pb S Bi2 S3'
_chemical_formula_sum            'Bi2 Pb S4'
_chemical_name_mineral           Galenobismutite
_chemical_name_systematic        'Lead dibismuthum sulfide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.72(3)
_cell_length_b                   14.52(3)
_cell_length_c                   4.07(2)
_cell_volume                     692.6
_exptl_crystal_density_meas      7.04
_cod_database_code               1010967
Schoepiet en Becquereliet
Billiet, V; De Jong, W F; Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch- Physikalisch-Chemische Abteilung 1935 (1935) 157–162; doi:

data_1010968
_publ_section_title              'Schoepiet en Becquereliet'
_journal_coden_ASTM              NACGA3
_journal_name_full
;
Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch-
Physikalisch-Chemische Abteilung
;
_journal_page_first              157
_journal_page_last               162
_journal_volume                  1935
_journal_year                    1935
_chemical_compound_source
;
from the Uranium Mine, Shinkolobwe, Katanga, Belgisch Kon
;
_chemical_formula_structural     '(U O3)2 (H2 O)3'
_chemical_formula_sum            'H6 O9 U2'
_chemical_name_mineral           Becquerelite
_chemical_name_systematic        'Diuranium(VI) oxide trihydrate'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9
_cell_length_b                   12.55
_cell_length_c                   14.9
_cell_volume                     2599.2
_cod_database_code               1010968
Isomorpher Ersatz des Phosphors in Apatiten durch Silicium und Schwefel
Klement, R; Naturwissenschaften 27 (1939) 57–58; doi:10.1007/BF01488937

data_1010969
_publ_section_title
;
Isomorpher Ersatz des Phosphors in Apatiten durch Silicium und Schwefel
;
_journal_coden_ASTM              NATWAY
_journal_name_full               Naturwissenschaften
_journal_page_first              57
_journal_page_last               58
_journal_volume                  27
_journal_year                    1939
_chemical_formula_structural     'Ca10 Si3 S3 O24 F2'
_chemical_formula_sum            'Ca10 F2 O24 S3 Si3'
_chemical_name_mineral           Ellestadite
_chemical_name_systematic        'Calcium thiosilicate fluoride *'
_cod_database_code               1010969
_journal_paper_doi 10.1007/BF01488937
On the Minerals Weslienite and Atopite.
Aminoff, G; Kunglia Svenska Vetenskaps Akademiens Handlingar 11 (1933) 14–18; doi:

data_1010970
_publ_section_title              'On the Minerals Weslienite and Atopite.'
_journal_coden_ASTM              KSVHAO
_journal_name_full
;
Kunglia Svenska Vetenskaps Akademiens Handlingar
;
_journal_page_first              14
_journal_page_last               18
_journal_volume                  11
_journal_year                    1933
_chemical_compound_source        'from Minas Geraes'
_chemical_formula_structural     '(Ca2 O F2) (Sb2 O5)'
_chemical_formula_sum            'Ca2 F2 O6 Sb2'
_chemical_name_mineral           Romeite
_chemical_name_systematic        'Dicalcium diantimony(V) difluoride oxide'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.28
_cell_length_b                   10.28
_cell_length_c                   10.28
_cell_volume                     1086.4
_cod_database_code               1010970
Lattice Dimensions of the Mineral Armanganite.
Aminoff, G; Kunglia Svenska Vetenskaps Akademiens Handlingar 11 (1933) 19–20; doi:

data_1010971
_publ_section_title
;
Lattice Dimensions of the Mineral Armanganite.
;
_journal_coden_ASTM              KSVHAO
_journal_name_full
;
Kunglia Svenska Vetenskaps Akademiens Handlingar
;
_journal_page_first              19
_journal_page_last               20
_journal_volume                  11
_journal_year                    1933
_chemical_compound_source        'from Langbanshyttan'
_chemical_formula_structural     'Mn3 As2 O6'
_chemical_formula_sum            'As2 Mn3 O6'
_chemical_name_mineral           Armangite
_chemical_name_systematic        'Trimanganese diarsenic hexaoxide'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   13.44
_cell_length_b                   13.44
_cell_length_c                   8.72
_cell_volume                     1364.1
_exptl_crystal_density_meas      4.23
_cod_database_code               1010971
Occurences of Bavenite in Switzerland.
Claringbull, G F; Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 25 (1940) 495–497; doi:10.1180/minmag.1940.025.168.04

data_1010972
_publ_section_title              'Occurences of Bavenite in Switzerland.'
_journal_coden_ASTM              MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first              495
_journal_page_last               497
_journal_paper_doi               10.1180/minmag.1940.025.168.04
_journal_volume                  25
_journal_year                    1940
_chemical_compound_source        'from Switzerland'
_chemical_formula_structural     'Ca4 Si9 Al2 Be O24 (O H)4'
_chemical_formula_sum            'Al2 Be Ca4 H4 O28 Si9'
_chemical_name_mineral           Bavenite
_chemical_name_systematic
;
Calcium silicon aluminium beryllium oxide hydroxide (4/9/2/1/24/4)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.34
_cell_length_b                   23.06
_cell_length_c                   4.95
_cell_volume                     2207.6
_cod_original_formula_sum        'H4 Al2 Be Ca4 O28 Si9'
_cod_database_code               1010972
Studies on the Zeolites. Part IV. Ashcroftine (Kalithomsonite of S. G. Gordon).
Hey, M H; Bannister, F A; Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 23 (1933) 305–308; doi:10.1180/minmag.1933.023.140.02

data_1010973
_publ_section_title
;
Studies on the Zeolites. Part IV. Ashcroftine (Kalithomsonite of S. G.
Gordon).
;
_journal_coden_ASTM              MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first              305
_journal_page_last               308
_journal_paper_doi               10.1180/minmag.1933.023.140.02
_journal_volume                  23
_journal_year                    1933
_chemical_compound_source        'from the British Museum'
_chemical_formula_structural     'Na K (Ca Mg Mn) Al4 Si5 O18 (H2 O)8'
_chemical_formula_sum            'Al4 Ca H16 K Mg Mn Na O26 Si5'
_chemical_name_mineral           Ashcroftine
_chemical_name_systematic
;
Sodium potassium calcium magnesium manganese aluminium silicate hydrate
*
;
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            40
_cell_length_a                   34.03999(5000)
_cell_length_b                   34.03999(5000)
_cell_length_c                   17.48999(5000)
_cell_volume                     20266.0
_cod_original_formula_sum        'H16 Al4 Ca K Mg Mn Na O26 Si5'
_cod_database_code               1010973
Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms
Blix, R; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 3 (1929) 229–239; doi:

data_1010974
_publ_section_title
;
Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten
Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              229
_journal_page_last               239
_journal_volume                  3
_journal_year                    1929
_chemical_compound_source        'synthetic at 1373 K'
_chemical_formula_structural     'Cr N'
_chemical_formula_sum            'Cr N'
_chemical_name_mineral           Carlsbergite
_chemical_name_systematic        'Chromium nitride'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.144(1)
_cell_length_b                   4.144(1)
_cell_length_c                   4.144(1)
_cell_volume                     71.2
_exptl_crystal_density_meas      5.9
_cod_database_code               1010974
The Crystal Structure of Cu3 As and Cu3 P
Steenberg, B; Arkiv foer Kemi, Mineralogi och Geologi, A 12 (1938) 1–15; doi:

data_1010975
_publ_section_title              'The Crystal Structure of Cu3 As and Cu3 P'
_journal_coden_ASTM              ARKGAJ
_journal_issue                   2
_journal_name_full               'Arkiv foer Kemi, Mineralogi och Geologi, A'
_journal_page_first              1
_journal_page_last               15
_journal_volume                  12
_journal_year                    1938
_chemical_compound_source        'from Mina San Antonio, Copiapa, Chile'
_chemical_formula_structural     'Cu3 As'
_chemical_formula_sum            'As Cu3'
_chemical_name_mineral           'Domeykite low'
_chemical_name_systematic        'Copper(I) arsenide'
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            16
_cell_length_a                   9.611
_cell_length_b                   9.611
_cell_length_c                   9.611
_cell_volume                     887.8
_exptl_crystal_density_meas      8.01(9)
_cod_database_code               1010975
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden
Oftedal, I; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272–292; doi:

data_1010976
_publ_section_title
;
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich
dargestellten Lanthanidenfluoriden
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              272
_journal_page_last               292
_journal_volume                  5
_journal_year                    1929
_chemical_compound_source        'from W. Cheyenne Canon, Colorado, USA'
_chemical_formula_analytical     '(Ce, La, Nd) F3'
_chemical_formula_structural     'Ce F3'
_chemical_formula_sum            'Ce F3'
_chemical_name_mineral           'Fluocerite (Ce)'
_chemical_name_systematic        'Cerium fluoride'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.137(4)
_cell_length_b                   7.137(4)
_cell_length_c                   7.295(5)
_cell_volume                     321.8
_exptl_crystal_density_meas      6.08(6)
_cod_database_code               1010976
The crystal structure of tetragonal lead monoxide
Dickinson, R G; Friauf, J B; Journal of the American Chemical Society 46 (1924) 2457–2462; doi:10.1021/ja01676a015

data_1010977
_publ_section_title
;
The crystal structure of tetragonal lead monoxide
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2457
_journal_page_last               2462
_journal_paper_doi               10.1021/ja01676a015
_journal_volume                  46
_journal_year                    1924
_chemical_compound_source        'synthetic from melt with KOH'
_chemical_formula_structural     'Pb O'
_chemical_formula_sum            'O Pb'
_chemical_name_mineral           Litharge
_chemical_name_systematic        'Lead oxide'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.99
_cell_length_b                   3.99
_cell_length_c                   5.01
_cell_volume                     79.8
_exptl_crystal_density_meas      9.27
_refine_ls_R_factor_all          0.092
_cod_original_sg_symbol_H-M      'P 4/n m m S'
_cod_database_code               1010977