LMucko/crystallography-open-database huggingface dataset:
Gd~3~GaO~6~ by X-ray powder diffraction
Yamane, Hisanori; Sakamoto, Takashi; Kubota, Shun-ichi; Shimada, Masahiko; Acta Crystallographica, Section C 55 (1999) 479–481; doi:10.1107/S0108270198016096

data_1000024
_publ_section_title
;
Gd~3~GaO~6~ by X-ray powder diffraction
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              479
_journal_page_last               481
_journal_paper_doi               10.1107/S0108270198016096
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'Gd3 Ga O6'
_chemical_formula_structural     Gd~3~(GaO~4~)O~2~
_chemical_formula_sum            'Ga Gd3 O6'
_chemical_formula_weight         637.47
_chemical_name_common            'gadolinium gallium oxide'
_chemical_name_systematic
;
trigadolinium galium oxide
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.99280(10)
_cell_length_b                   11.2809(2)
_cell_length_c                   5.48116(9)
_cell_measurement_temperature    293(2)
_cell_volume                     556.05(2)
_computing_data_collection       'RISM (Rigaku Corporation, 1995)'
_computing_molecular_graphics    'ATOMS (Dowty, 1998)'
_computing_structure_refinement  'RIETAN97 (Izumi, 1997)'
_computing_structure_solution    'EXPO (Altomare et al., 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       RIGAKU_RINT2500V
_diffrn_measurement_method       '\q/2\q step scans'
_diffrn_radiation_source         'RIGAKU_RINT2500V rotaing Cu anode'
_diffrn_radiation_type           'Cu K\a~1~,\a~2~'
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_theta_max         59.98
_diffrn_reflns_theta_min         6.29
_exptl_absorpt_coefficient_mu    246.9
_exptl_crystal_density_diffrn    7.615
_refine_ls_goodness_of_fit_all   1.3236
_refine_ls_number_constraints    4
_refine_ls_number_parameters     43
_refine_ls_R_factor_all          .0247
_refine_ls_shift/esd_max         <0.001
_refine_ls_shift/esd_mean        0.00
_reflns_number_total             248
_cod_duplicate_entry             2008330
_cod_data_source_file            br1230.cif
_cod_original_formula_sum        'Gd3 Ga O6'
_cod_database_code               1000024
The hydrogen activation of LaNi~5~
Kisi, E. H.; Buckley, C. E.; Gray, E. M.; Journal of Alloys and Compounds 185 (1992) 369–384; doi:10.1016/0925-8388(92)90484-Q

data_1000025
_publ_section_title
;
 The hydrogen activation of LaNi~5~
;
_journal_coden_ASTM              JALCEU
_journal_issue                   2
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              369
_journal_page_last               384
_journal_paper_doi               10.1016/0925-8388(92)90484-Q
_journal_volume                  185
_journal_year                    1992
_chemical_formula_sum            'La Ni5'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_audit_creation_date             2002-02-11
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120.
_cell_formula_units_Z            1
_cell_length_a                   5.0125(3)
_cell_length_b                   5.0125(3)
_cell_length_c                   3.9873(2)
_cell_volume                     86.76
_cod_database_code               1000025
; J. Appl. Chem. USSR, engl. trans. 44 (1971) 970–974; doi:

data_1000026
_journal_coden_ASTM              JAPUAW
_journal_name_full               'J. Appl. Chem. USSR, engl. trans.'
_journal_page_first              970
_journal_page_last               974
_journal_volume                  44
_journal_year                    1971
_chemical_formula_sum            'B2 Mg'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_audit_creation_date             2002-02-11
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120.
_cell_formula_units_Z            1
_cell_length_a                   3.085
_cell_length_b                   3.085
_cell_length_c                   3.523
_cell_volume                     29.04
_cod_original_formula_sum        'Mg B2'
_cod_database_code               1000026
The Crystal Structure of the Anhydrous Magnesium Sulfate
Rentzeperis, P J; Soldatos, C T; Acta Crystallographica (1,1948-23,1967) 11 (1958) 686–688; doi:10.1107/S0365110X58001857

data_1000027
_publ_section_title
;
The Crystal Structure of the Anhydrous Magnesium Sulfate
;
_journal_coden_ASTM              ACCRA9
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              686
_journal_page_last               688
_journal_paper_doi               10.1107/S0365110X58001857
_journal_volume                  11
_journal_year                    1958
_chemical_formula_structural     'Mg S O4'
_chemical_formula_sum            'Mg O4 S'
_chemical_name_systematic        'Magnesium sulfate'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.182(15)
_cell_length_b                   7.893(2)
_cell_length_c                   6.506(16)
_cell_volume                     266.1
_cod_database_code               1000027
The Crystal Structures of Sodalite-Group Minerals
Hassan, I.; Grundy, H. D.; Acta Crystallographica, Section B: Structural Science 40 (1984) 6–13; doi:10.1107/s0108768184001683

data_1000028
_publ_section_title
;
 The Crystal Structures of Sodalite-Group Minerals
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              6
_journal_page_last               13
_journal_paper_doi               10.1107/s0108768184001683
_journal_volume                  40
_journal_year                    1984
_chemical_formula_structural     'Na8 Al6 Si6 O24 Cl2'
_chemical_formula_sum            'Al6 Cl2 Na8 O24 Si6'
_chemical_name_mineral           Sodalite
_chemical_name_systematic
;
Tetrasodium trialuminium tris(silicate) chloride
;
_space_group_crystal_system      cubic
_space_group_IT_number           218
_space_group_name_Hall           'P -4n 2 3'
_space_group_name_H-M_alt        'P -4 3 n'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            1
_cell_length_a                   8.875(1)
_cell_length_b                   8.875(1)
_cell_length_c                   8.875(1)
_cell_volume                     699.0(1)
_refine_ls_R_factor_all          0.017
_cod_original_sg_symbol_Hall     P_-4n_2_3
_cod_database_code               1000028
Rietveld refinements for calcium and yttrium containing α-sialons
Izumi, F.; Mitomo, M.; Bando, Y.; Journal of Materials Science 19 (1984) 3115–3120; doi:10.1007/BF01026991

data_1000029
_publ_section_title
;
 Rietveld refinements for calcium and yttrium containing \a-sialons
;
_journal_coden_ASTM              JMTSAS
_journal_issue                   9
_journal_name_full               'Journal of Materials Science'
_journal_page_first              3115
_journal_page_last               3120
_journal_paper_doi               10.1007/BF01026991
_journal_volume                  19
_journal_year                    1984
_chemical_formula_structural     'Y.5 (Si9.3 Al2.7) (N15.1 O.9)'
_chemical_formula_sum            'Al2.7 N15.1 O0.9 Si9.3 Y0.5'
_chemical_name_systematic        'Yttrium alumosilicate nitrogen oxide *'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.82927(7)
_cell_length_b                   7.82927(7)
_cell_length_c                   5.70757(6)
_cell_volume                     303.0
_refine_ls_R_factor_all          0.059
_cod_original_formula_sum        'Al2.7 N15.1 O.9 Si9.3 Y.5'
_cod_database_code               1000029
Joint X-ray and neutron refinement of the structure of superconducting YBa~2~Cu~3~O~7-x~: precision structure, anisotropic thermal parameters, strain and cation disorder
Williams, A; Kwei, G H; Dreele, R B von; Larson, A C; Raistrick, I D; Bish, D L; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 37 (1988) 7960–7962; doi:10.1103/PhysRevB.37.7960

data_1000030
_publ_section_title
;
Joint X-ray and neutron refinement of the structure of superconducting
YBa~2~Cu~3~O~7-x~: precision structure, anisotropic thermal parameters,
strain and cation disorder
;
_journal_coden_ASTM              PRBMDO
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter (18,1978-)
;
_journal_page_first              7960
_journal_page_last               7962
_journal_paper_doi               10.1103/PhysRevB.37.7960
_journal_volume                  37
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 Cu3 O6.9'
_chemical_formula_sum            'Ba2 Cu3 O6.9 Y'
_chemical_name_systematic        'Yttrium barium copper oxide (1/2/3/6.9)'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.82030(8)
_cell_length_b                   3.88548(10)
_cell_length_c                   11.68349(23)
_cell_volume                     173.4
_refine_ls_R_factor_all          0.0524
_cod_database_code               1000030
Redetermination of the structure of the 80 K superconductor YBa~2~Cu~4~O~8~ by time-of-flight neutron powder diffraction
Lightfoot, P.; Pei, S.; Jorgensen, J. D.; Yamada, Y.; Matsumoto, T.; Izumi, F.; Kodama, Y.; Acta Crystallographica Section C 47 (1991) 1143–1145; doi:10.1107/S0108270190011271

data_1000031
_publ_section_title
;
Redetermination of the structure of the 80 K superconductor 
YBa~2~Cu~4~O~8~ by time-of-flight neutron powder diffraction
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1143
_journal_page_last               1145
_journal_paper_doi               10.1107/S0108270190011271
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ba2 Cu4 O8 Y'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_Hall           '-A 2 2'
_space_group_name_H-M_alt        'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8402(1)
_cell_length_b                   3.8708(1)
_cell_length_c                   27.2309(3)
_cell_measurement_temperature    295
_cell_volume                     404.8
_cod_original_formula_sum        'Y Ba2 Cu4 O8'
_cod_database_code               1000031
_cod_depositor_comments
;
 Changing the space group from '-C 2 2' to '-A 2 2' after consulting the
 original publication. All related space group information was changed
 accordingly.

 Antanas Vaitkus,
 2017-07-04
;
Simultaneous structure and size-strain refinement by the Rietveld method
Lutterotti, L; Scardi, P; Journal of Applied Crystallography 23 (1990) 246–252; doi:10.1107/S0021889890002382

data_1000032
_publ_section_title
;
Simultaneous structure and size-strain refinement by the Rietveld method
;
_journal_coden_ASTM              JACGAR
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              246
_journal_page_last               252
_journal_paper_doi               10.1107/S0021889890002382
_journal_volume                  23
_journal_year                    1990
_chemical_formula_structural     'Al2 O3'
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_chemical_name_systematic        'Aluminium oxide - $-alpha'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.76050(5)
_cell_length_b                   4.76050(5)
_cell_length_c                   12.9956(2)
_cell_volume                     255.1
_refine_ls_R_factor_all          0.038
_cod_original_sg_symbol_H-M      'R -3 c H'
_cod_database_code               1000032
Crystal structures of aragonite, strontianite, and witherite
de Villiers, J. P. R.; American Mineralogist 56 (1971) 758–767; doi:

data_1000033
_publ_section_title
;
 Crystal structures of aragonite, strontianite, and witherite
;
_journal_coden_ASTM              AMMIAY
_journal_name_full               'American Mineralogist'
_journal_page_first              758
_journal_page_last               767
_journal_volume                  56
_journal_year                    1971
_chemical_compound_source        'from Anglesarke, Lancashire, England'
_chemical_formula_structural     'Ba C O3'
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_chemical_name_systematic        'Barium carbonate'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2n 2a'
_space_group_name_H-M_alt        'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3126(5)
_cell_length_b                   8.8958(5)
_cell_length_c                   6.4284(5)
_cell_volume                     303.8
_refine_ls_R_factor_all          0.033
_cod_depositor_comments
;
 Merging entries 1000033 and 9000228. Marking entry 9000228 as a duplicate
 of entry 1000033. Marking entries 1000033 and 9000228 as being related
 to AMCSD 0000235.

 Antanas Vaitkus,
 2018-07-06
;
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               1000033
A refinement of the structure of anorthite
Wainwright, J E; Starkey, J; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 133 (1971) 75–84; doi:

data_1000034
_publ_section_title              'A refinement of the structure of anorthite'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              75
_journal_page_last               84
_journal_volume                  133
_journal_year                    1971
_chemical_compound_source        'from Val Plasmeda, Tyrol, Austria'
_chemical_formula_structural     'Ca (Al2 Si2 O8)'
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Anorthite
_chemical_name_systematic        'Calcium tecto-dialumodisilicate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.113(6)
_cell_angle_beta                 115.913(6)
_cell_angle_gamma                91.261(6)
_cell_formula_units_Z            8
_cell_length_a                   8.173(1)
_cell_length_b                   12.869(1)
_cell_length_c                   14.165(1)
_cell_volume                     1336.3
_refine_ls_R_factor_all          0.06
_cod_database_code               1000034
Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements
Clark, J R; Appleman, D E; Papike, J J; Mineralogical Society of America: Special Papers 2 (1969) 31–50; doi:

data_1000035
_publ_section_title
;
Crystal-Chemical Characterization of Clinopyroxenes based on Eight New 
Structure Refinements
;
_journal_coden_ASTM              MSAPAX
_journal_name_full
;
Mineralogical Society of America: Special Papers
;
_journal_page_first              31
_journal_page_last               50
_journal_volume                  2
_journal_year                    1969
_chemical_compound_source        'from Kakanui, New Zealand'
_chemical_formula_analytical
;
(Na.09 Ca.61) (Mg.90 Fe.21 Al.16) (Si1.83 Al.17 Ti.02) O6
;
_chemical_formula_structural     'Na.1 Ca.6 Mg.9 Fe.2 Ti.0 Al.34 Si1.82 O6'
_chemical_formula_sum            'Al0.34 Ca0.6 Fe0.2 Mg0.9 Na0.1 O6 Si1.82'
_chemical_name_mineral           Augite
_chemical_name_systematic
;
Sodium calcium magnesium iron titanium alumosilicate *
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.97(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.699(1)
_cell_length_b                   8.844(1)
_cell_length_c                   5.272(1)
_cell_volume                     432.5
_refine_ls_R_factor_all          0.049
_cod_original_formula_sum        'Al.34 Ca.6 Fe.2 Mg.9 Na.1 O6 Si1.82'
_cod_database_code               1000035
Crystal structure of vermiculites and mixed vermiculite-chlorites
Hendricks, S B; Jefferson, M E; American Mineralogist 23 (1938) 851–862; doi:

data_1000036
_publ_section_title
;
Crystal structure of vermiculites and mixed vermiculite-chlorites
;
_journal_coden_ASTM              AMMIAY
_journal_name_full               'American Mineralogist'
_journal_page_first              851
_journal_page_last               862
_journal_volume                  23
_journal_year                    1938
_chemical_formula_structural     'Mg3 Si4 O10 (O H)2'
_chemical_formula_sum            'H2 Mg3 O12 Si4'
_chemical_name_mineral           Vermiculite
_chemical_name_systematic        'Trimagnesium dihydrogen phyllo-silicate'
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.25(25)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.33(5)
_cell_length_b                   9.18(5)
_cell_length_c                   28.85(10)
_cell_volume                     1409.3
_cod_database_code               1000036
A Refinement of the Structure of Barite
Colville, A A; Staudhammer, K; American Mineralogist 52 (1967) 1877–1880; doi:

data_1000037
_publ_section_title
;
A Refinement of the Structure of Barite
;
_journal_coden_ASTM              AMMIAY
_journal_name_full               'American Mineralogist'
_journal_page_first              1877
_journal_page_last               1880
_journal_volume                  52
_journal_year                    1967
_chemical_compound_source
;
from Cow Green Mine, Teesdale, Durham, England
;
_chemical_formula_structural     'Ba S O4'
_chemical_formula_sum            'Ba O4 S'
_chemical_name_mineral           Barite
_chemical_name_systematic        'Barium sulfate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   8.884(4)
_cell_length_b                   5.458(3)
_cell_length_c                   7.153(3)
_cell_volume                     346.8
_refine_ls_R_factor_all          0.051
_cod_database_code               1000037
Crystal structure refinement of 1M plutonic biotites
Brigatti, M F; Davoli, P; American Mineralogist 75 (1990) 305–313; doi:

data_1000038
_publ_section_title
;
Crystal structure refinement of 1M plutonic biotites
;
_journal_coden_ASTM              AMMIAY
_journal_name_full               'American Mineralogist'
_journal_page_first              305
_journal_page_last               313
_journal_volume                  75
_journal_year                    1990
_chemical_compound_source        'from Valle de Cervo, Vercelli, Italy'
_chemical_formula_analytical
;
(Na.021 K.908) (Al.015 Fe1.217 Mg1.386 Mn.015 Ti.25 Li.006) (Al1.258
Si2.742 O10.318) (O H)1.628 Cl0.053
;
_chemical_formula_structural     'K Fe Mg2 (Al Si3 O10) (O H)2'
_chemical_formula_sum            'Al Fe H2 K Mg2 O12 Si3'
_chemical_name_mineral           Biotite
_chemical_name_systematic
;
Potassium iron dimagnesium phyllo-alumotrisilicate dihydroxide
;
_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                 100.23(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.345(1)
_cell_length_b                   9.258(2)
_cell_length_c                   10.222(2)
_cell_volume                     497.8
_database_code_amcsd             0001297
_exptl_crystal_density_diffrn    2.994
_refine_ls_R_factor_all          0.021
_cod_original_formula_sum        'H2 Al Fe K Mg2 O12 Si3'
_cod_database_code               1000038
The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~
Mondal, P; Jeffery, J W; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 689–697; doi:10.1107/S0567740875003639

data_1000039
_publ_section_title
;
The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              689
_journal_page_last               697
_journal_paper_doi               10.1107/S0567740875003639
_journal_volume                  31
_journal_year                    1975
_chemical_formula_structural     'Ca9 (Al6 O18)'
_chemical_formula_sum            'Al6 Ca9 O18'
_chemical_name_systematic        'Calcium cyclo-hexaaluminate'
_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            8
_cell_length_a                   15.263(3)
_cell_length_b                   15.263(3)
_cell_length_c                   15.263(3)
_cell_volume                     3555.7
_exptl_crystal_density_meas      3.02(0)
_refine_ls_R_factor_all          0.051
_cod_database_code               1000039