LMucko/crystallography-open-database huggingface dataset:
The crystal structures of some carbonates of the calcite group
Wyckoff, R. W. G.; American Journal of Science 50 (1920) 317–360; doi:10.2475/ajs.s4-50.299.317

data_1011228
_publ_section_title
;
 The crystal structures of some carbonates of the calcite group
;
_journal_coden_ASTM              AJSCAP
_journal_name_full               'American Journal of Science'
_journal_page_first              317
_journal_page_last               360
_journal_paper_doi               10.2475/ajs.s4-50.299.317
_journal_volume                  50
_journal_year                    1920
_chemical_compound_source        'from Lake Co., Colorado'
_chemical_formula_structural     'Mn (C O3)'
_chemical_formula_sum            'C Mn O3'
_chemical_name_mineral           Rhodochrosite
_chemical_name_systematic        'Manganese carbonate'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_H-M   'R -3 c RS'
_cell_angle_alpha                47.77
_cell_angle_beta                 47.77
_cell_angle_gamma                47.77
_cell_formula_units_Z            2
_cell_length_a                   5.84
_cell_length_b                   5.84
_cell_length_c                   5.84
_cell_volume                     100.0
_exptl_crystal_density_meas      3.85
_cod_depositor_comments
;
 Updating bibliography and correcting the summary chemical formula.

 Antanas Vaitkus,
 2018-07-06
;
_cod_database_code               1011228
On the structure and chemical composition of Swedenborgite
Aminoff, G; Kunglia Svenska Vetenskaps Akademiens Handlingar 11 (1933) 1–13; doi:

data_1011229
_publ_section_title
;
On the structure and chemical composition of Swedenborgite
;
_journal_coden_ASTM              KSVHAO
_journal_name_full
;
Kunglia Svenska Vetenskaps Akademiens Handlingar
;
_journal_page_first              1
_journal_page_last               13
_journal_volume                  11
_journal_year                    1933
_chemical_compound_source        'from Langban, Sweden'
_chemical_formula_structural     'Na Be4 (Sb O3) O4'
_chemical_formula_sum            'Be4 Na O7 Sb'
_chemical_name_mineral           Swedenborgite
_chemical_name_systematic
;
Sodium tetraberyllium catena-antimonate tetraoxide
;
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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_formula_units_Z            2
_cell_length_a                   5.42
_cell_length_b                   5.42
_cell_length_c                   8.8
_cell_volume                     223.9
_exptl_crystal_density_meas      4.29
_cod_database_code               1011229
Minerals of the Varutrask pegmatite. IX. X-ray studies on triphylite, varulite, and their oxidation products
Bjoerling, C O; Westgren, A; Geologiska Foereningens i Stockholm Foerhandlingar 60 (1938) 67–72; doi:

data_1011230
_publ_section_title
;
Minerals of the Varutrask pegmatite. IX. X-ray studies on triphylite,
varulite, and their oxidation products
;
_journal_coden_ASTM              GFSFA4
_journal_name_full
;
Geologiska Foereningens i Stockholm Foerhandlingar
;
_journal_page_first              67
_journal_page_last               72
_journal_volume                  60
_journal_year                    1938
_chemical_compound_source        'from Varutrask, Sweden'
_chemical_formula_structural     '(Mn0.65 Fe0.35) (P O4)'
_chemical_formula_sum            'Fe0.35 Mn0.65 O4 P'
_chemical_name_mineral           Purpurite
_chemical_name_systematic
;
Manganese(III) iron(III) phosphate(V) (0.65/0.35/1)
;
_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                   4.76
_cell_length_b                   9.68
_cell_length_c                   5.819
_cell_volume                     268.1
_cod_original_formula_sum        'Fe.35 Mn.65 O4 P'
_cod_database_code               1011230
The crystal structure of skutterudite and related minerals
Oftedal, I; Norsk Geologisk Tidsskrift 8 (1926) 250–257; doi:

data_1011231
_publ_section_title
;
The crystal structure of skutterudite and related minerals
;
_journal_coden_ASTM              NOGTAO
_journal_name_full               'Norsk Geologisk Tidsskrift'
_journal_page_first              250
_journal_page_last               257
_journal_volume                  8
_journal_year                    1926
_chemical_compound_source        'Skutterud, Norway'
_chemical_formula_structural     'Co As3'
_chemical_formula_sum            'As3 Co'
_chemical_name_mineral           Skutterudite
_chemical_name_systematic        'Cobalt arsenide (1/3)'
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            8
_cell_length_a                   8.17
_cell_length_b                   8.17
_cell_length_c                   8.17
_cell_volume                     545.3
_database_code_amcsd             0017723
_exptl_crystal_density_diffrn    6.911
_exptl_crystal_density_meas      6.8
_cod_database_code               1011231
Marmatit und christophit
de Jong, W F; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 66 (1927) 515–515; doi:

data_1011232
_publ_section_title              'Marmatit und christophit'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              515
_journal_page_last               515
_journal_volume                  66
_journal_year                    1927
_chemical_compound_source        'rich) - from St. Barbara, California'
_chemical_formula_structural     'Zn0.73 Fe0.27 S'
_chemical_formula_sum            'Fe0.27 S Zn0.73'
_chemical_name_mineral           'Sphalerite (F'
_chemical_name_systematic        'Zinc iron sulfide (.7/.3/1)'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.415(5)
_cell_length_b                   5.415
_cell_length_c                   5.415
_cell_volume                     158.8
_exptl_crystal_density_meas      3.9
_cod_original_formula_sum        'Fe.27 S Zn.73'
_cod_database_code               1011232
Marmatit und christophit
de Jong, W F; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 66 (1927) 515–515; doi:

data_1011233
_publ_section_title              'Marmatit und christophit'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              515
_journal_page_last               515
_journal_volume                  66
_journal_year                    1927
_chemical_compound_source        'rich) - from Breitenbrunn, Saxony'
_chemical_formula_structural     'Zn0.66 Fe0.34 S'
_chemical_formula_sum            'Fe0.34 S Zn0.66'
_chemical_name_mineral           'Sphalerite (F'
_chemical_name_systematic        'Zinc iron sulfide (.7/.3/1)'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.431(5)
_cell_length_b                   5.431
_cell_length_c                   5.431
_cell_volume                     160.2
_exptl_crystal_density_meas      3.9
_cod_original_formula_sum        'Fe.34 S Zn.66'
_cod_database_code               1011233
Roentgenographic observations on ore minerals
Peacock, M A; Berry, L G; University of Toronto Studies, Geological Series 44 (1940) 47–69; doi:

data_1011234
_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 Carinthia, Austria'
_chemical_formula_structural     'Ni (As0.1 Sb0.9) S'
_chemical_formula_sum            'As0.1 Ni S Sb0.9'
_chemical_name_mineral           'Ullmannite (As)'
_chemical_name_systematic
;
Nickel arsenic antimony sulfide (1/0.1/0.9/1)
;
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.724(5)
_cell_length_b                   5.724
_cell_length_c                   5.724
_cell_volume                     187.5
_exptl_crystal_density_meas      6.5
_cod_original_formula_sum        'As.1 Ni S Sb.9'
_cod_database_code               1011234
Die Kristallstruktur der wasserfreien Alaune R'R''' (S O4)2
Vegard, L; Maurstad, A; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1–24; doi:

data_1011235
_publ_section_title
;
Die Kristallstruktur der wasserfreien Alaune R'R''' (S O4)2
;
_journal_coden_ASTM              SUNVAQ
_journal_name_full
;
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-
Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               24
_journal_volume                  1928
_journal_year                    1928
_chemical_formula_structural     'K Al (S O4)2'
_chemical_formula_sum            'Al K O8 S2'
_chemical_name_mineral           Steklite
_chemical_name_systematic        'Potassium aluminium sulfate(VI)'
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.706
_cell_length_b                   4.706
_cell_length_c                   7.96
_cell_volume                     152.7
_exptl_crystal_density_meas      2.67
_cod_database_code               1011235
Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te.
Oftedal, I; Zeitschrift fuer Physikalische Chemie (Leipzig) 128 (1927) 135–158; doi:

data_1011236
_publ_section_title
;
Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te.
;
_journal_coden_ASTM              ZPCLAH
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Leipzig)
;
_journal_page_first              135
_journal_page_last               158
_journal_volume                  128
_journal_year                    1927
_chemical_compound_source        synthetic
_chemical_formula_structural     'Ca S'
_chemical_formula_sum            'Ca S'
_chemical_name_mineral           Oldhamite
_chemical_name_systematic        'Calcium sulfide'
_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                   5.686(5)
_cell_length_b                   5.686(5)
_cell_length_c                   5.686(5)
_cell_volume                     183.8
_exptl_crystal_density_meas      2.58
_cod_database_code               1011236
A redetermination of the parameter for Hauerite, Mn S2
Offner, F; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 89 (1934) 182–184; doi:

data_1011237
_publ_section_title
;
A redetermination of the parameter for Hauerite, Mn S2
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              182
_journal_page_last               184
_journal_volume                  89
_journal_year                    1934
_chemical_compound_source        synthetic
_chemical_formula_structural     'Mn S2'
_chemical_formula_sum            'Mn S2'
_chemical_name_mineral           Hauerite
_chemical_name_systematic        'Manganese perdisulfide'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.109(5)
_cell_length_b                   6.109
_cell_length_c                   6.109
_cell_volume                     228.0
_cod_database_code               1011237
The Structure of Enstatite, Mg Si O3
Warren, B E; Modell, D I; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 75 (1930) 1–14; doi:

data_1011238
_publ_section_title              'The Structure of Enstatite, Mg Si O3'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              1
_journal_page_last               14
_journal_volume                  75
_journal_year                    1930
_chemical_compound_source        'from Mt. Dore, Auvergne, France'
_chemical_formula_structural     'Fe.3 Mg.7 Si O3'
_chemical_formula_sum            'Fe0.3 Mg0.7 O3 Si'
_chemical_name_mineral           Hypersthene
_chemical_name_systematic        'Magnesium iron(II) silicate *'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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            16
_cell_length_a                   18.2
_cell_length_b                   8.86
_cell_length_c                   5.2
_cell_volume                     838.5
_database_code_amcsd             0018104
_exptl_crystal_density_diffrn    3.481
_exptl_crystal_density_meas      3.39
_cod_original_formula_sum        'Fe.3 Mg.7 O3 Si'
_cod_database_code               1011238
The crystal structures of the cuprous halides
Wyckoff, R W G; Posnjak, E; Journal of the American Chemical Society 44 (1922) 30–36; doi:10.1021/ja01422a005

data_1011239
_publ_section_title
;
The crystal structures of the cuprous halides
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              30
_journal_page_last               36
_journal_paper_doi               10.1021/ja01422a005
_journal_volume                  44
_journal_year                    1922
_chemical_compound_source        synthetic
_chemical_formula_structural     'Cu I'
_chemical_formula_sum            'Cu I'
_chemical_name_mineral           Marshite
_chemical_name_systematic        'Copper(I) iodide'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1
_cell_length_b                   6.1
_cell_length_c                   6.1
_cell_volume                     227.0
_exptl_crystal_density_meas      5.67
_cod_database_code               1011239
The Structure of Hematite
Pauling, L; Hendricks, S B; Journal of the American Chemical Society 47 (1925) 781–790; doi:10.1021/ja01680a027

data_1011240
_publ_section_title              'The Structure of Hematite'
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              781
_journal_page_last               790
_journal_paper_doi               10.1021/ja01680a027
_journal_volume                  47
_journal_year                    1925
_chemical_formula_structural     'Fe2 O3'
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Hematite
_chemical_name_systematic        'Iron(III) oxide'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                55.28
_cell_angle_beta                 55.28
_cell_angle_gamma                55.28
_cell_formula_units_Z            2
_cell_length_a                   5.43
_cell_length_b                   5.43
_cell_length_c                   5.43
_cell_volume                     100.8
_exptl_crystal_density_meas      5.26(4)
_cod_original_sg_symbol_H-M      'R -3 c R'
_cod_database_code               1011240
Spinel structures: with and without variate atom equipoints
Barth, T F W; Posnjak, E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 82 (1932) 325–341; doi:

data_1011241
_publ_section_title
;
Spinel structures: with and without variate atom equipoints
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              325
_journal_page_last               341
_journal_volume                  82
_journal_year                    1932
_chemical_compound_source        synthetic
_chemical_formula_structural     'Mg Fe2 O4'
_chemical_formula_sum            'Fe2 Mg O4'
_chemical_name_mineral           Magnesioferrite
_chemical_name_systematic        'Magnesium diiron(III) oxide'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.36(1)
_cell_length_b                   8.36(1)
_cell_length_c                   8.36(1)
_cell_volume                     584.3
_exptl_crystal_density_meas      4.5
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_database_code               1011241
The Crystal Structures of Some Natural and Synthetic Apatite-Like Substances
Hendricks, S B; Jefferson, M E; Mosley, V M; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 81 (1932) 352–369; doi:

data_1011242
_publ_section_title
;
The Crystal Structures of Some Natural and Synthetic Apatite-Like
Substances
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              352
_journal_page_last               369
_journal_volume                  81
_journal_year                    1932
_chemical_compound_source        synthetic
_chemical_formula_structural     'Ca5 (P O4)3 (O H)'
_chemical_formula_sum            'Ca5 H O13 P3'
_chemical_name_mineral           Hydroxylapatite
_chemical_name_systematic        'Pentacalcium tris(phosphate) hydroxide'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.40(3)
_cell_length_b                   9.40(3)
_cell_length_c                   6.93(3)
_cell_volume                     530.3
_exptl_crystal_density_meas      3.08
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_formula_sum        'H Ca5 O13 P3'
_cod_database_code               1011242
Tetrossido di antimonio e antimoniati
Natta, G; Baccaredda, M; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 85 (1933) 271–296; doi:

data_1011243
_publ_section_title              'Tetrossido di antimonio e antimoniati'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              271
_journal_page_last               296
_journal_volume                  85
_journal_year                    1933
_chemical_compound_source        synthetic
_chemical_formula_structural     'Pb2 Sb2 O7'
_chemical_formula_sum            'O7 Pb2 Sb2'
_chemical_name_mineral           Bindheimite
_chemical_name_systematic        'Lead diantimonate'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.44
_cell_length_b                   10.44
_cell_length_c                   10.44
_cell_volume                     1137.9
_database_code_amcsd             0010510
_exptl_crystal_density_diffrn    8.988
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_database_code               1011243
Kristallstruktur von Hauyn und Nosean
Machatschki, F; Zentralblatt fuer Mineralogie und Geologie, A 1934 (1934) 136–144; doi:

data_1011244
_publ_section_title              'Kristallstruktur von Hauyn und Nosean'
_journal_coden_ASTM              ZMGPAS
_journal_name_full
;
Zentralblatt fuer Mineralogie und Geologie, A
;
_journal_page_first              136
_journal_page_last               144
_journal_volume                  1934
_journal_year                    1934
_chemical_compound_source
;
from Niedermendig, Laacher See, Eifel, Germany
;
_chemical_formula_structural     'Na6 Ca2 Al6 Si6 O24 (S O4)2'
_chemical_formula_sum            'Al6 Ca2 Na6 O32 S2 Si6'
_chemical_name_mineral           Hauyne
_chemical_name_systematic
;
Hexasodium dicalcium hexaaluminium hexasilicate disulfate *
;
_space_group_IT_number           218
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.1
_cell_length_b                   9.1
_cell_length_c                   9.1
_cell_volume                     753.6
_exptl_crystal_density_meas      2.4
_cod_database_code               1011244