LMucko/crystallography-open-database huggingface dataset:
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Fourquet, J L; Duroy, H; Lacorre, P; Journal of Solid State Chemistry 114 (1995) 575–584; doi:10.1006/jssc.1995.1087

data_1000381
_publ_section_title
;
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              575
_journal_page_last               584
_journal_paper_doi               10.1006/jssc.1995.1087
_journal_volume                  114
_journal_year                    1995
_chemical_formula_structural     'Tl2 Nb2 O6.07'
_chemical_formula_sum            'Nb2 O6.07 Tl2'
_chemical_name_systematic
;
Thallium Thallium(III) niobium oxide (1.8/0.1/2/6.1)
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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_formula_units_Z            8
_cell_length_a                   10.6829(2)
_cell_length_b                   10.6829(2)
_cell_length_c                   10.6829(2)
_cell_volume                     1219.2
_refine_ls_R_factor_all          0.038
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000381
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Fourquet, J L; Duroy, H; Lacorre, P; Journal of Solid State Chemistry 114 (1995) 575–584; doi:10.1006/jssc.1995.1087

data_1000382
_publ_section_title
;
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              575
_journal_page_last               584
_journal_paper_doi               10.1006/jssc.1995.1087
_journal_volume                  114
_journal_year                    1995
_chemical_formula_structural     'Tl2 Nb2 O6.271'
_chemical_formula_sum            'Nb2 O6.271 Tl2'
_chemical_name_systematic
;
Thallium Thallium(III) niobium oxide (1.7/0.3/2/6.3)
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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_formula_units_Z            8
_cell_length_a                   10.6418(2)
_cell_length_b                   10.6418(2)
_cell_length_c                   10.6418(2)
_cell_volume                     1205.2
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000382
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Fourquet, J L; Duroy, H; Lacorre, P; Journal of Solid State Chemistry 114 (1995) 575–584; doi:10.1006/jssc.1995.1087

data_1000383
_publ_section_title
;
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              575
_journal_page_last               584
_journal_paper_doi               10.1006/jssc.1995.1087
_journal_volume                  114
_journal_year                    1995
_chemical_formula_structural     'Tl2 Nb2 O6.43'
_chemical_formula_sum            'Nb2 O6.43 Tl2'
_chemical_name_systematic
;
Thallium Thallium(III) niobium oxide (1.6/0.4/2/6.4)
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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_formula_units_Z            8
_cell_length_a                   10.6399(2)
_cell_length_b                   10.6399(2)
_cell_length_c                   10.6399(2)
_cell_volume                     1204.5
_refine_ls_R_factor_all          0.033
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000383
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Fourquet, J L; Duroy, H; Lacorre, P; Journal of Solid State Chemistry 114 (1995) 575–584; doi:10.1006/jssc.1995.1087

data_1000384
_publ_section_title
;
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              575
_journal_page_last               584
_journal_paper_doi               10.1006/jssc.1995.1087
_journal_volume                  114
_journal_year                    1995
_chemical_formula_structural     'Tl2 Nb2 O6.49'
_chemical_formula_sum            'Nb2 O6.49 Tl2'
_chemical_name_systematic
;
Thallium Thallium(III) niobium oxide (1.5/0.5/2/6.5)
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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_formula_units_Z            8
_cell_length_a                   10.6397(2)
_cell_length_b                   10.6397(2)
_cell_length_c                   10.6397(2)
_cell_volume                     1204.4
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000384
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Fourquet, J L; Duroy, H; Lacorre, P; Journal of Solid State Chemistry 114 (1995) 575–584; doi:10.1006/jssc.1995.1087

data_1000385
_publ_section_title
;
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              575
_journal_page_last               584
_journal_paper_doi               10.1006/jssc.1995.1087
_journal_volume                  114
_journal_year                    1995
_chemical_formula_structural     'Tl2 Nb2 O6.588'
_chemical_formula_sum            'Nb2 O6.588 Tl2'
_chemical_name_systematic
;
Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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_formula_units_Z            8
_cell_length_a                   10.6370(2)
_cell_length_b                   10.6370(2)
_cell_length_c                   10.6370(2)
_cell_volume                     1203.5
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000385
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Fourquet, J L; Duroy, H; Lacorre, P; Journal of Solid State Chemistry 114 (1995) 575–584; doi:10.1006/jssc.1995.1087

data_1000386
_publ_section_title
;
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              575
_journal_page_last               584
_journal_paper_doi               10.1006/jssc.1995.1087
_journal_volume                  114
_journal_year                    1995
_chemical_formula_structural     'Tl2 Nb2 O6.648'
_chemical_formula_sum            'Nb2 O6.648 Tl2'
_chemical_name_systematic
;
Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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_formula_units_Z            8
_cell_length_a                   10.6313(2)
_cell_length_b                   10.6313(2)
_cell_length_c                   10.6313(2)
_cell_volume                     1201.6
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000386
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
Fourquet, J L; Duroy, H; Lacorre, P; Journal of Solid State Chemistry 114 (1995) 575–584; doi:10.1006/jssc.1995.1087

data_1000387
_publ_section_title
;
Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              575
_journal_page_last               584
_journal_paper_doi               10.1006/jssc.1995.1087
_journal_volume                  114
_journal_year                    1995
_chemical_formula_structural     'Tl2 Nb2 O7'
_chemical_formula_sum            'Nb2 O7 Tl2'
_chemical_name_systematic
;
Thallium Thallium(III) niobium oxide (1/1/2/7)
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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_formula_units_Z            8
_cell_length_a                   10.6220(2)
_cell_length_b                   10.6220(2)
_cell_length_c                   10.6220(2)
_cell_volume                     1198.4
_refine_ls_R_factor_all          0.059
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000387
The calcium thallate Ca3 Tl2 O6, third member of the series Can Tl2 On+3
Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B; Journal of Solid State Chemistry 115 (1995) 508–513; doi:10.1006/jssc.1995.1166

data_1000388
_publ_section_title
;
The calcium thallate Ca3 Tl2 O6, third member of the series Can Tl2 On+3
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              508
_journal_page_last               513
_journal_paper_doi               10.1006/jssc.1995.1166
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     '(Ca2.8 Tl0.2) (Tl2 O6)'
_chemical_formula_sum            'Ca2.8 O6 Tl2.2'
_chemical_name_systematic        'Tricalcium dithallate'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   11.248(2)
_cell_length_b                   16.51299(200)
_cell_length_c                   3.3329(3)
_cell_volume                     619.0
_refine_ls_R_factor_all          0.048
_cod_database_code               1000388
Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))
Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J; Journal of Solid State Chemistry 115 (1995) 98–111; doi:10.1006/jssc.1995.1108

data_1000389
_publ_section_title
;
Synthesis, structural study, and magnetic behavior of a new
chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'=
Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              98
_journal_page_last               111
_journal_paper_doi               10.1006/jssc.1995.1108
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Ba2 (Zn2 F7 Cl)'
_chemical_formula_sum            'Ba2 Cl F7 Zn2'
_chemical_name_systematic        'Dibarium phyllo-heptafluorochlorodizincate'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 106.85(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.700(2)
_cell_length_b                   5.801(2)
_cell_length_c                   8.939(2)
_cell_volume                     382.1
_refine_ls_R_factor_all          0.028
_cod_database_code               1000389
Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))
Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J; Journal of Solid State Chemistry 115 (1995) 98–111; doi:10.1006/jssc.1995.1108

data_1000390
_publ_section_title
;
Synthesis, structural study, and magnetic behavior of a new
chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'=
Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              98
_journal_page_last               111
_journal_paper_doi               10.1006/jssc.1995.1108
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Ba2 (Co2 F7 Cl)'
_chemical_formula_sum            'Ba2 Cl Co2 F7'
_chemical_name_systematic
;
Dibarium phyllo-heptafluorochlorodicobaltate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 106.88(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.692(3)
_cell_length_b                   5.783(2)
_cell_length_c                   8.945(2)
_cell_volume                     380.8
_exptl_crystal_density_meas      4.88
_refine_ls_R_factor_all          0.036
_cod_database_code               1000390
Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))
Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J; Journal of Solid State Chemistry 115 (1995) 98–111; doi:10.1006/jssc.1995.1108

data_1000391
_publ_section_title
;
Synthesis, structural study, and magnetic behavior of a new
chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'=
Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              98
_journal_page_last               111
_journal_paper_doi               10.1006/jssc.1995.1108
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Ba2 (Mn Ni F7 Cl)'
_chemical_formula_sum            'Ba2 Cl F7 Mn Ni'
_chemical_name_systematic
;
Dibarium phyllo-heptafluorochloromanganoniccolate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 106.64(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.766(3)
_cell_length_b                   5.844(1)
_cell_length_c                   8.932(4)
_cell_volume                     388.4
_refine_ls_R_factor_all          0.036
_cod_database_code               1000391
New thallium oxycarbonates built up from rock salt layers: A4 Tl2 C O3 O6 (A=Ca,Sr,Ba)
Caignaert, V; Hervieu, M; Goutenoire, F; Raveau, B; Journal of Solid State Chemistry 116 (1995) 321–328; doi:10.1006/jssc.1995.1221

data_1000392
_publ_section_title
;
New thallium oxycarbonates built up from rock salt layers: A4 Tl2 C O3
O6 (A=Ca,Sr,Ba)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              321
_journal_page_last               328
_journal_paper_doi               10.1006/jssc.1995.1221
_journal_volume                  116
_journal_year                    1995
_chemical_formula_structural     'Ca4 Tl2 (C O3) O6'
_chemical_formula_sum            'C Ca4 O9 Tl2'
_chemical_name_systematic        'Tetracalcium dithallium carbonate hexaoxide'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.77944(4)
_cell_length_b                   4.77944(4)
_cell_length_c                   18.21109(20)
_cell_volume                     416.0
_refine_ls_R_factor_all          0.042
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Ca4 O9 Tl2'
 to 'C Ca4 O9 Tl2'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1000392
Synthesis and crystal structure of Ba3 Ta O F9
Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Laligant, Y; European Journal of Solid State Inorganic Chemistry 92 (1995) 457–468; doi:

data_1000393
_publ_section_title
;
Synthesis and crystal structure of Ba3 Ta O F9
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              457
_journal_page_last               468
_journal_volume                  92
_journal_year                    1995
_chemical_formula_structural     'Ba3 Ta O F9'
_chemical_formula_sum            'Ba3 F9 O Ta'
_chemical_name_systematic        'Tribarium tantalum oxide nonafluoride'
_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                   5.9422(5)
_cell_length_b                   26.39499(300)
_cell_length_c                   5.9590(5)
_cell_volume                     934.6
_refine_ls_R_factor_all          0.042
_cod_database_code               1000393
Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction
Leblanc, M; Mercier, N; Attfield, J - P; European Journal of Solid State Inorganic Chemistry 32 (1995) 535–538; doi:

data_1000394
_publ_section_title
;
Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              535
_journal_page_last               538
_journal_volume                  32
_journal_year                    1995
_chemical_formula_structural     'Ba Cu (C O3) F2'
_chemical_formula_sum            'C Ba Cu F2 O3'
_chemical_name_systematic        'Barium copper carbonate difluoride'
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.8866(6)
_cell_length_b                   8.531(1)
_cell_length_c                   9.582(1)
_cell_volume                     399.5
_refine_ls_R_factor_all          0.017
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Ba Cu F2 O3'
 to 'C Ba Cu F2 O3'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1000394
Structure and optical properties of K Gd (C O3) F2 : Eu(3+)
Mercier, N; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M; Porcher, P; Journal of Alloys Compd. 225 (1995) 198–202; doi:10.1016/0925-8388(94)07093-8

data_1000395
_publ_section_title
;
Structure and optical properties of K Gd (C O3) F2 : Eu(3+)
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              198
_journal_page_last               202
_journal_paper_doi               10.1016/0925-8388(94)07093-8
_journal_volume                  225
_journal_year                    1995
_chemical_formula_structural     'K Gd (C O3) F2'
_chemical_formula_sum            'C F2 Gd K O3'
_chemical_name_systematic        'Potassium gadolinium carbonate difluoride'
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   7.006(2)
_cell_length_b                   11.181(3)
_cell_length_c                   21.86499(600)
_cell_volume                     1712.8
_refine_ls_R_factor_all          0.028
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'F2 Gd K O3'
 to 'C F2 Gd K O3'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_sg_symbol_H-M      'F d d d Z'
_cod_database_code               1000395
Zirconium tungstate
Auray, M; Quarton, M; Leblanc, M; Acta Crystallographica C (39,1983-) 51 (1995) 2210–2213; doi:

data_1000396
_publ_section_title              'Zirconium tungstate'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2210
_journal_page_last               2213
_journal_volume                  51
_journal_year                    1995
_chemical_formula_structural     'Zr (W O4)2'
_chemical_formula_sum            'O8 W2 Zr'
_chemical_name_systematic        'Zirconium tungstate'
_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                   9.1546(2)
_cell_length_b                   9.1546(2)
_cell_length_c                   9.1546(2)
_cell_volume                     767.2
_exptl_crystal_density_meas      4.9(5)
_refine_ls_R_factor_all          0.027
_cod_database_code               1000396