LMucko/crystallography-open-database huggingface dataset:
La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)
Abraham, F; Trehoux, J; Thomas, D; Materials Research Bulletin 12 (1977) 43–52; doi:10.1016/0025-5408(77)90087-3

data_1004061
_publ_section_title
;
La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation
et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              43
_journal_page_last               52
_journal_paper_doi               10.1016/0025-5408(77)90087-3
_journal_volume                  12
_journal_year                    1977
_chemical_formula_structural     'LA4 RU6 O19'
_chemical_formula_sum            'La4 O19 Ru6'
_chemical_name_systematic        'LANTHANUM RUTHENIUM OXIDE (4/6/19)'
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.981(3)
_cell_length_b                   8.981(3)
_cell_length_c                   8.981(3)
_cell_volume                     724.4
_exptl_crystal_density_meas      6.71(3)
_refine_ls_R_factor_all          0.025
_cod_database_code               1004061
La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)
Abraham, F; Trehoux, J; Thomas, D; Materials Research Bulletin 12 (1977) 43–52; doi:10.1016/0025-5408(77)90087-3

data_1004062
_publ_section_title
;
La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation
et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              43
_journal_page_last               52
_journal_paper_doi               10.1016/0025-5408(77)90087-3
_journal_volume                  12
_journal_year                    1977
_chemical_formula_structural     'LA4 OS6 O19'
_chemical_formula_sum            'La4 O19 Os6'
_chemical_name_systematic        'LANTHANUM OSMIUM OXIDE (4/6/19)'
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.050(2)
_cell_length_b                   9.050(2)
_cell_length_c                   9.050(2)
_cell_volume                     741.2
_refine_ls_R_factor_all          0.024
_cod_database_code               1004062
La liaison metal-metal dans les clusters M~12~ O~36~: II-Preparation et etude structurelle de la phase La~3~ Ru~3~ O~11~
Abraham, F; Trehoux, J; Thomas, D; Materials Research Bulletin 13 (1978) 805–810; doi:10.1016/0025-5408(78)90043-0

data_1004063
_publ_section_title
;
La liaison metal-metal dans les clusters M~12~ O~36~: II-Preparation et
etude structurelle de la phase La~3~ Ru~3~ O~11~
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              805
_journal_page_last               810
_journal_paper_doi               10.1016/0025-5408(78)90043-0
_journal_volume                  13
_journal_year                    1978
_chemical_formula_structural     'LA3 RU3 O11'
_chemical_formula_sum            'La3 O11 Ru3'
_chemical_name_systematic        'LANTHANUM RUTHENIUM OXIDE (3/3/11)'
_space_group_IT_number           201
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.466(2)
_cell_length_b                   9.466(2)
_cell_length_c                   9.466(2)
_cell_volume                     848.2
_exptl_crystal_density_meas      6.97(5)
_refine_ls_R_factor_all          0.022
_cod_original_sg_symbol_H-M      'P n -3 Z'
_cod_database_code               1004063
Etude de la serie isostructurale M(II)Bi~2~O~4~: PbBi~2~O~4~
Conflant, P.; Boivin, J. C.; Thomas, D.; Revue de Chimie Minerale 14 (1977) 249–255; doi:

data_1004064
_publ_section_title
;
 Etude de la serie isostructurale M(II)Bi~2~O~4~: PbBi~2~O~4~
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              249
_journal_page_last               255
_journal_volume                  14
_journal_year                    1977
_chemical_formula_structural     'Pd Bi2 O4'
_chemical_formula_sum            'Bi2 O4 Pd'
_chemical_name_systematic        'Palladium dibismuth oxide'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.622(4)
_cell_length_b                   8.622(4)
_cell_length_c                   5.907(3)
_cell_volume                     439.1
_exptl_crystal_density_meas      8.7
_refine_ls_R_factor_all          0.041
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1004064
X-ray, Raman, infrared, and nuclear magnetic resonance studies of the crystal structure of ammonium tetrachloroaluminate, N H~4~ Al Cl~4~
Mairesse, G; Barbier, P; Wignacourt, J P; Rubbens, A; Wallart, F; Canadian Journal of Chemistry 56 (1978) 764–771; doi:10.1139/v78-127

data_1004065
_publ_section_title
;
X-ray, Raman, infrared, and nuclear magnetic resonance studies of the
crystal structure of ammonium tetrachloroaluminate, N H~4~ Al Cl~4~
;
_journal_coden_ASTM              CJCHAG
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              764
_journal_page_last               771
_journal_paper_doi               10.1139/v78-127
_journal_volume                  56
_journal_year                    1978
_chemical_formula_structural     'N H4 AL CL4'
_chemical_formula_sum            'Al Cl4 H4 N'
_chemical_name_systematic        'AMMONIUM TETRACHLOROALUMINATE'
_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                   11.022(6)
_cell_length_b                   7.072(3)
_cell_length_c                   9.257(5)
_cell_volume                     721.6
_exptl_crystal_density_meas      1.68
_refine_ls_R_factor_all          0.027
_cod_original_formula_sum        'H4 Al Cl4 N'
_cod_database_code               1004065
_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
;
Preparation et etude structurale d'un nouveau compose contenant le cluster M~12~ O~36~ * La~3~ Ir~3~ O~11~
Abraham, F; Trehoux, J; Thomas, D; Journal of the Less-Common Metals 63 (1979) P57–P63; doi:10.1016/0022-5088(79)90255-8

data_1004066
_publ_section_title
;
Preparation et etude structurale d'un nouveau compose contenant le
cluster M~12~ O~36~ * La~3~ Ir~3~ O~11~
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              P57
_journal_page_last               P63
_journal_paper_doi               10.1016/0022-5088(79)90255-8
_journal_volume                  63
_journal_year                    1979
_chemical_formula_structural     'LA3 IR3 O11'
_chemical_formula_sum            'Ir3 La3 O11'
_chemical_name_systematic        'LANTHANUM IRIDIUM OXIDE (3/3/11)'
_space_group_IT_number           201
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.499(4)
_cell_length_b                   9.499(4)
_cell_length_c                   9.499(4)
_cell_volume                     857.1
_exptl_crystal_density_meas      8.9
_refine_ls_R_factor_all          0.037
_cod_original_sg_symbol_H-M      'P n -3 Z'
_cod_database_code               1004066
Crystal structure of Nd Os O~4~ a new Ba Zn F~4~ -type compound
Abraham, F; Trehoux, J; Thomas, D; Journal of Inorganic and Nuclear Chemistry 42 (1980) 1627–1630; doi:10.1016/0022-1902(80)80327-7

data_1004067
_publ_section_title
;
Crystal structure of Nd Os O~4~ a new Ba Zn F~4~ -type compound
;
_journal_coden_ASTM              JINCAO
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1627
_journal_page_last               1630
_journal_paper_doi               10.1016/0022-1902(80)80327-7
_journal_volume                  42
_journal_year                    1980
_chemical_formula_structural     'ND OS O4'
_chemical_formula_sum            'Nd O4 Os'
_chemical_name_systematic        'NEODYMIUM TETRAOXOOSMATE(V)'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.859
_cell_length_b                   7.55
_cell_length_c                   5.487
_cell_volume                     615.6
_refine_ls_R_factor_all          0.047
_cod_database_code               1004067
Caracterisation et structure d'un nouvel oxyde de neodyme et d'osmium derive du type K Sb O~3~-cubique: Nd~4~ Os~6~ O~19~
Abraham, F; Trehoux, J; Thomas, D; Journal of the Less-Common Metals 77 (1981) P23–P30; doi:10.1016/0022-5088(81)90182-X

data_1004068
_publ_section_title
;
Caracterisation et structure d'un nouvel oxyde de neodyme et d'osmium
derive du type K Sb O~3~-cubique: Nd~4~ Os~6~ O~19~
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              P23
_journal_page_last               P30
_journal_paper_doi               10.1016/0022-5088(81)90182-X
_journal_volume                  77
_journal_year                    1981
_chemical_formula_structural     'ND4 OS6 O19'
_chemical_formula_sum            'Nd4 O19 Os6'
_chemical_name_systematic        'Neodymium osmium oxide (4/6/19)'
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.957(3)
_cell_length_b                   8.957(3)
_cell_length_c                   8.957(3)
_cell_volume                     718.6
_refine_ls_R_factor_all          0.027
_cod_database_code               1004068
Etude structurale du tetrachloroaluminate de sodium. Comparaison des spectres de diffusion raman de la famille des M Al Cl~4~ (M=Li, Na, K, Rb, Cs, No, Nh~4~,) a l'etat solide
Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P; Journal of Raman Spectroscopy 9 (1980) 55–61; doi:10.1002/jrs.1250090113

data_1004069
_publ_section_title
;
Etude structurale du tetrachloroaluminate de sodium. Comparaison des
spectres de diffusion raman de la famille des M Al Cl~4~ (M=Li, Na, K,
Rb, Cs, No, Nh~4~,) a l'etat solide
;
_journal_coden_ASTM              JRSPAF
_journal_name_full               'Journal of Raman Spectroscopy'
_journal_page_first              55
_journal_page_last               61
_journal_paper_doi               10.1002/jrs.1250090113
_journal_volume                  9
_journal_year                    1980
_chemical_formula_structural     'NA AL CL4'
_chemical_formula_sum            'Al Cl4 Na'
_chemical_name_systematic        'SODIUM TETRACHLOROALUMINATE'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.322(3)
_cell_length_b                   9.886(3)
_cell_length_c                   6.167(2)
_cell_volume                     629.3
_refine_ls_R_factor_all          0.025
_cod_database_code               1004069
Structural stdudy of K~2~ In Cl~5~, H~2~ O by X-Ray, Raman and IR spectroscopies
Wignacourt, J P; Lorriaux-Rubbens, A; Barbier, P; Mairesse, G; Wallart, F; Spectrochimica Acta A, Molecular Spectroscopy 36 (1980) 403–411; doi:10.1016/0584-8539(80)80153-X

data_1004070
_publ_section_title
;
Structural stdudy of K~2~ In Cl~5~, H~2~ O by X-Ray, Raman and IR
spectroscopies
;
_journal_coden_ASTM              SAMCAS
_journal_name_full
;
Spectrochimica Acta A, Molecular Spectroscopy
;
_journal_page_first              403
_journal_page_last               411
_journal_paper_doi               10.1016/0584-8539(80)80153-X
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     '(K2 IN CL5) (H2 O)'
_chemical_formula_sum            'Cl5 H2 In K2 O'
_chemical_name_systematic        'DIPOTASSIUM PENTACHLOROAQUAINDATE'
_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                   13.905(8)
_cell_length_b                   9.952(5)
_cell_length_c                   7.185(5)
_cell_volume                     994.3
_exptl_crystal_density_meas      2.53
_refine_ls_R_factor_all          0.028
_cod_original_formula_sum        'H2 Cl5 In K2 O'
_cod_database_code               1004070
Structural investigations on bismuth-based oxides
Boivin, J C; Thomas, D J; Solid State Ionics 3 (1981) 457–462; doi:

data_1004071
_publ_section_title
;
Structural investigations on bismuth-based oxides
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              457
_journal_page_last               462
_journal_volume                  3
_journal_year                    1981
_chemical_formula_structural     'BI1.72 SR0.53 O3'
_chemical_formula_sum            'Bi1.72 O3 Sr0.53'
_chemical_name_systematic        'BISMUTH STRONTIUM OXIDE (1.7/0.5/3)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   3.971(1)
_cell_length_b                   3.971(1)
_cell_length_c                   28.41(1)
_cell_volume                     388.0
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'Bi1.72 O3 Sr.53'
_cod_database_code               1004071
Potassium Tetrabromoindate(III), K (In Br~4~)
Wignacourt, J P; Mairesse, G; Abraham, F; Acta Crystallographica C (39,1983-) 40 (1984) 2006–2007; doi:

data_1004072
_publ_section_title
;
Potassium Tetrabromoindate(III), K (In Br~4~)
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2006
_journal_page_last               2007
_journal_volume                  40
_journal_year                    1984
_chemical_formula_structural     'K (In Br4)'
_chemical_formula_sum            'Br4 In K'
_chemical_name_systematic        'Potassium tetrabromoindate'
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.891(12)
_cell_length_b                   10.390(5)
_cell_length_c                   10.390(5)
_cell_volume                     851.9
_exptl_crystal_density_meas      3.63
_refine_ls_R_factor_all          0.052
_cod_database_code               1004072
Stability range and crystal structure of the oxygen-deficient b.c.c. solid solution Bi(~1-x~) Cd~x~ O(~1.5-x/2~) (0.11<x<.25)
Graia, T; Conflant, P; Nowogrocki, G; Boivin, J C; Thomas, D; Journal of Solid State Chemistry 63 (1986) 160–165; doi:10.1016/0022-4596(86)90166-0

data_1004073
_publ_section_title
;
Stability range and crystal structure of the oxygen-deficient b.c.c.
solid solution Bi(~1-x~) Cd~x~ O(~1.5-x/2~) (0.11<x<.25)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              160
_journal_page_last               165
_journal_paper_doi               10.1016/0022-4596(86)90166-0
_journal_volume                  63
_journal_year                    1986
_chemical_formula_structural     '(Bi.79 Cd.21) O1.395'
_chemical_formula_sum            'Bi0.79 Cd0.21 O1.395'
_chemical_name_systematic        'Bismuth cadmium oxide (.79/.21/1.395)'
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.281(1)
_cell_length_b                   4.281(1)
_cell_length_c                   4.281(1)
_cell_volume                     78.5
_refine_ls_R_factor_all          0.037
_cod_original_formula_sum        'Bi.79 Cd.21 O1.395'
_cod_database_code               1004073
Etude structurale par diffractometrie X a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~
Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D; Solid State Ionics 9 (1983) 925–928; doi:

data_1004074
_publ_section_title
;
Etude structurale par diffractometrie X a haute temperature du
conducteur anionique Bi~.844~ Ba~.156~ O~1.422~
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              925
_journal_page_last               928
_journal_volume                  9
_journal_year                    1983
_chemical_formula_structural     'Bi.844 Ba.156 O1.422'
_chemical_formula_sum            'Ba0.156 Bi0.844 O1.422'
_chemical_name_systematic        'Bismuth barium oxide (.844/.156/1.422)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.005(1)
_cell_length_b                   4.005(1)
_cell_length_c                   28.54(1)
_cell_volume                     396.5
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'Ba.156 Bi.844 O1.422'
_cod_database_code               1004074
Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~
Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D; Solid State Ionics 9 (1983) 925–928; doi:

data_1004075
_publ_section_title
;
Etude structurale par diffractometrie x a haute temperature du
conducteur anionique Bi~.844~ Ba~.156~ O~1.422~
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              925
_journal_page_last               928
_journal_volume                  9
_journal_year                    1983
_chemical_formula_structural     'Bi.844 Ba.156 O1.422'
_chemical_formula_sum            'Ba0.156 Bi0.844 O1.422'
_chemical_name_systematic        'Bismuth barium oxide (.844/.156/1.422)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.023(1)
_cell_length_b                   4.023(1)
_cell_length_c                   28.66(1)
_cell_volume                     401.7
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'Ba.156 Bi.844 O1.422'
_cod_database_code               1004075
Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~
Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D; Solid State Ionics 9 (1983) 925–928; doi:

data_1004076
_publ_section_title
;
Etude structurale par diffractometrie x a haute temperature du
conducteur anionique Bi~.844~ Ba~.156~ O~1.422~
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              925
_journal_page_last               928
_journal_volume                  9
_journal_year                    1983
_chemical_formula_structural     'Bi.844 Ba.156 O1.422'
_chemical_formula_sum            'Ba0.156 Bi0.844 O1.422'
_chemical_name_systematic        'Bismuth barium oxide (.844/.156/1.422)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.025(1)
_cell_length_b                   4.025(1)
_cell_length_c                   28.71(1)
_cell_volume                     402.8
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'Ba.156 Bi.844 O1.422'
_cod_database_code               1004076