LMucko/crystallography-open-database huggingface dataset:
Synthesis, spectroscopic studies, and crystal and molecular structure of bismuth hexacyanoferrate(III) tetrahydrate, Bi Fe (C N)6 4(H2 O)
Mullica, D.F.; Perkins, H.O.; Sappenfield, E.L.; Inorganica Chimica Acta 142 (1988) 9–12; doi:

data_1530461
_publ_section_title
;
 Synthesis, spectroscopic studies, and crystal and molecular structure of
 bismuth hexacyanoferrate(III) tetrahydrate, Bi Fe (C N)6 4(H2 O)
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              9
_journal_page_last               12
_journal_volume                  142
_journal_year                    1988
_chemical_formula_sum            'C6 H8 Bi Fe N6 O4'
_chemical_name_systematic        'Bi (Fe (C N)6) (H2 O)4'
_space_group_IT_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                 119.76
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.42
_cell_length_b                   13.678
_cell_length_c                   7.421
_cell_volume                     653.830
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Mullica_ICHAA3_1988_1576.cif
_cod_data_source_block           C6H8Bi1Fe1N6O4
_cod_original_cell_volume        653.83
_cod_original_formula_sum        'C6 H8 Bi1 Fe1 N6 O4'
_cod_database_code               1530461
Refined structure of Ce K Fe C N6 H2 O4
Mullica, D.F.; Milligan, W.O.; Oliver, J.D.; Inorganic and Nuclear Chemistry Letters 15 (1979) 1–5; doi:

data_4344108
_publ_section_title
;
 Refined structure of Ce K Fe C N6 H2 O4
;
_journal_name_full               'Inorganic and Nuclear Chemistry Letters'
_journal_page_first              1
_journal_page_last               5
_journal_volume                  15
_journal_year                    1979
_chemical_formula_sum            'C6 H8 Ce Fe K N6 O4'
_chemical_name_systematic        'Ce K (Fe (C N)6) (H2 O)4'
_space_group_IT_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                   7.392
_cell_length_b                   7.392
_cell_length_c                   13.871
_cell_volume                     656.391
_citation_journal_id_ASTM        INUCAF
_cod_data_source_file            Mullica_INUCAF_1979_381.cif
_cod_data_source_block           C6H8Ce1Fe1K1N6O4
_cod_original_cell_volume        656.3906
_cod_original_formula_sum        'C6 H8 Ce1 Fe1 K1 N6 O4'
_cod_database_code               4344108
Ferrous hexacyanocobaltate dodecahydrate
Mullica, D.F.; Oliver, J.D.; Milligan, W.O.; Hills, F.W.; Inorganic and Nuclear Chemistry Letters 15 (1979) 361–365; doi:

data_4344109
_publ_section_title
;
 Ferrous hexacyanocobaltate dodecahydrate
;
_journal_name_full               'Inorganic and Nuclear Chemistry Letters'
_journal_page_first              361
_journal_page_last               365
_journal_volume                  15
_journal_year                    1979
_chemical_formula_sum            'C16.002 H32 Co2.667 Fe4 N16.002 O16'
_chemical_name_systematic        'Fe4 (Co (C N)6)2.667 (H2 O)16'
_space_group_IT_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            1
_cell_length_a                   10.308
_cell_length_b                   10.308
_cell_length_c                   10.308
_cell_volume                     1095.275
_citation_journal_id_ASTM        INUCAF
_cod_data_source_file            Mullica_INUCAF_1979_383.cif
_cod_data_source_block           C16.002H32Co2.667Fe4N16.002O16
_cod_database_code               4344109
Synthesis, spectral analyses and X-ray diffraction studies of 1:1 (Sc,In)(O H)3
Mullica, D.F.; Sappenfield, E.L.; Gable, D.R.; Journal of the Less-Common Metals 142 (1988) 341–347; doi:

data_1530462
_publ_section_title
;
 Synthesis, spectral analyses and X-ray diffraction studies of 1:1
 (Sc,In)(O H)3
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              341
_journal_page_last               347
_journal_volume                  142
_journal_year                    1988
_chemical_formula_sum            'H3 In0.5 O3 Sc0.49'
_chemical_name_systematic        'Sc0.49 In0.50 (O H)3'
_space_group_IT_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                   7.951
_cell_length_b                   7.951
_cell_length_c                   7.951
_cell_volume                     502.650
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Mullica_JCOMAH_1988_1698.cif
_cod_data_source_block           H3In0.5O3Sc0.49
_cod_original_cell_volume        502.6495
_cod_database_code               1530462
Crystal Structural Analyses of 1:3 (Lu, In) (O H)3 and 1:3 (Yb, In) (O H)3
Mullica, D.F.; Sappenfield, E.L.; Gable, D.R.; Tims, T.A.; Journal of the Less-Common Metals 152 (1989) 157–163; doi:

data_1530463
_publ_section_title
;
 Crystal Structural Analyses of 1:3 (Lu, In) (O H)3 and 1:3 (Yb, In) (O
 H)3
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              157
_journal_page_last               163
_journal_volume                  152
_journal_year                    1989
_chemical_formula_sum            'H3 In0.75 Lu0.25 O3'
_chemical_name_systematic        'Lu0.25 In0.75 (O H)3'
_space_group_IT_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                   8.043
_cell_length_b                   8.043
_cell_length_c                   8.043
_cell_volume                     520.300
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Mullica_JCOMAH_1989_1818.cif
_cod_data_source_block           H3In0.75Lu0.25O3
_cod_original_cell_volume        520.3005
_cod_database_code               1530463
Crystal Structural Analyses of 1:3 (Lu, In) (O H)3 and 1:3 (Yb, In) (O H)3
Mullica, D.F.; Sappenfield, E.L.; Gable, D.R.; Tims, T.A.; Journal of the Less-Common Metals 152 (1989) 157–163; doi:

data_1530464
_publ_section_title
;
 Crystal Structural Analyses of 1:3 (Lu, In) (O H)3 and 1:3 (Yb, In) (O
 H)3
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              157
_journal_page_last               163
_journal_volume                  152
_journal_year                    1989
_chemical_formula_sum            'H3 In0.75 O3 Y0.25'
_chemical_name_systematic        'Y0.25 In0.75 (O H)3'
_space_group_IT_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                   8.038
_cell_length_b                   8.038
_cell_length_c                   8.038
_cell_volume                     519.331
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Mullica_JCOMAH_1989_1819.cif
_cod_data_source_block           H3In0.75O3Y0.25
_cod_original_cell_volume        519.3307
_cod_database_code               1530464
Crystal structures of Pr (O H)3, Eu (O H)3 and Tm (O H)3
Mullica, D.F.; Milligan, W.O.; Beall, G.W.; Journal of Inorganic and Nuclear Chemistry 41 (1979) 525–532; doi:

data_4031475
_publ_section_title
;
 Crystal structures of Pr (O H)3, Eu (O H)3 and Tm (O H)3
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              525
_journal_page_last               532
_journal_volume                  41
_journal_year                    1979
_chemical_formula_sum            'H3 O3 Pr'
_chemical_name_systematic        'Pr (O H)3'
_space_group_IT_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                   6.456
_cell_length_b                   6.456
_cell_length_c                   3.769
_cell_volume                     136.045
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Mullica_JINCAO_1979_392.cif
_cod_data_source_block           H3O3Pr1
_cod_original_cell_volume        136.0454
_cod_original_formula_sum        'H3 O3 Pr1'
_cod_database_code               4031475
Crystal structures of Pr (O H)3, Eu (O H)3 and Tm (O H)3
Mullica, D.F.; Beall, G.W.; Milligan, W.O.; Journal of Inorganic and Nuclear Chemistry 41 (1979) 525–532; doi:

data_4031476
_publ_section_title
;
 Crystal structures of Pr (O H)3, Eu (O H)3 and Tm (O H)3
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              525
_journal_page_last               532
_journal_volume                  41
_journal_year                    1979
_chemical_formula_sum            'Eu H3 O3'
_chemical_name_systematic        'Eu (O H)3'
_space_group_IT_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                   6.352
_cell_length_b                   6.352
_cell_length_c                   3.653
_cell_volume                     127.644
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Mullica_JINCAO_1979_393.cif
_cod_data_source_block           H3Eu1O3
_cod_original_cell_volume        127.6443
_cod_original_formula_sum        'H3 Eu1 O3'
_cod_database_code               4031476
Crystal structures of Pr (O H)3, Eu (O H)3 and Tm (O H)3
Mullica, D.F.; Milligan, W.O.; Beall, G.W.; Journal of Inorganic and Nuclear Chemistry 41 (1979) 525–532; doi:

data_4031477
_publ_section_title
;
 Crystal structures of Pr (O H)3, Eu (O H)3 and Tm (O H)3
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              525
_journal_page_last               532
_journal_volume                  41
_journal_year                    1979
_chemical_formula_sum            'H3 O3 Tm'
_chemical_name_systematic        'Tm (O H)3'
_space_group_IT_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                   6.221
_cell_length_b                   6.221
_cell_length_c                   3.503
_cell_volume                     117.406
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Mullica_JINCAO_1979_394.cif
_cod_data_source_block           H3O3Tm1
_cod_original_cell_volume        117.4062
_cod_original_formula_sum        'H3 O3 Tm1'
_cod_database_code               4031477
Structural refinement of La Co (C N)6 (H2 O)5
Mullica, D.F.; Milligan, W.O.; Kouba, W.T.; Journal of Inorganic and Nuclear Chemistry 41 (1979) 967–973; doi:

data_4031478
_publ_section_title
;
 Structural refinement of La Co (C N)6 (H2 O)5
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              967
_journal_page_last               973
_journal_volume                  41
_journal_year                    1979
_chemical_formula_sum            'C6 H10 Co La N6 O5'
_chemical_name_systematic        'La Co (C N)6 (H2 O)5'
_space_group_IT_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                   7.507
_cell_length_b                   7.507
_cell_length_c                   14.343
_cell_volume                     700.009
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Mullica_JINCAO_1979_396.cif
_cod_data_source_block           C6H10Co1La1N6O5
_cod_original_cell_volume        700.0087
_cod_original_formula_sum        'C6 H10 Co1 La1 N6 O5'
_cod_database_code               4031478
Structure of dichromate-type lead pyrophosphate Pb2 P2 O7
Mullica, D.F.; Grossie, D.A.; Perkins, H.O.; Sales, B.C.; Boatner, L.A.; Journal of Solid State Chemistry 62 (1986) 371–376; doi:

data_1530465
_publ_section_title
;
 Structure of dichromate-type lead pyrophosphate Pb2 P2 O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              371
_journal_page_last               376
_journal_volume                  62
_journal_year                    1986
_chemical_formula_sum            'O7 P2 Pb2'
_chemical_name_systematic        'Pb2 (P2 O7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.82
_cell_angle_beta                 91.14
_cell_angle_gamma                89.64
_cell_formula_units_Z            4
_cell_length_a                   6.914
_cell_length_b                   6.966
_cell_length_c                   12.751
_cell_volume                     609.655
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mullica_JSSCBI_1986_1132.cif
_cod_data_source_block           O7P2Pb2
_cod_original_cell_volume        609.6545
_cod_database_code               1530465
A structural investigation of praseodymium potassium hexacyanoferrate(II) tetrahydrate, Pr K Fe (C N)6 4(H2 O)
Mullica, D.F.; Sappenfield, E.L.; Perkins, H.O.; Journal of Solid State Chemistry 73 (1988) 65–70; doi:

data_1530466
_publ_section_title
;
 A structural investigation of praseodymium potassium hexacyanoferrate(II)
 tetrahydrate, Pr K Fe (C N)6 4(H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              65
_journal_page_last               70
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'C6 H8 Fe K N6 O4 Pr'
_chemical_name_systematic        'Pr K (Fe (C N)6) (H2 O)4'
_space_group_IT_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                   7.374
_cell_length_b                   7.374
_cell_length_c                   13.826
_cell_volume                     651.079
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mullica_JSSCBI_1988_1597.cif
_cod_data_source_block           C6H8Fe1K1N6O4Pr1
_cod_original_cell_volume        651.0787
_cod_original_formula_sum        'C6 H8 Fe1 K1 N6 O4 Pr1'
_cod_database_code               1530466
Synthesis and structural study of samarium hexacyanoferrate (III) tetrahydrate, Sm Fe (C N)6 4(H2 O)
Mullica, D.F.; Perkins, H.O.; Sappenfield, E.L.; Grossie, D.A.; Journal of Solid State Chemistry 74 (1988) 9–15; doi:

data_1530467
_publ_section_title
;
 Synthesis and structural study of samarium hexacyanoferrate (III)
 tetrahydrate, Sm Fe (C N)6 4(H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               15
_journal_volume                  74
_journal_year                    1988
_chemical_formula_sum            'C6 H8 Fe N6 O4 Sm'
_chemical_name_systematic        'Sm Fe (C N)6 (H2 O)4'
_space_group_IT_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                 119.95
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.431
_cell_length_b                   13.724
_cell_length_c                   7.429
_cell_volume                     656.459
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mullica_JSSCBI_1988_1619.cif
_cod_data_source_block           C6H8Fe1N6O4Sm1
_cod_original_cell_volume        656.4589
_cod_original_formula_sum        'C6 H8 Fe1 N6 O4 Sm1'
_cod_database_code               1530467
A structural investigation of monoclinic Sm Co (C N)6 * 4(H2 O)
Mullica, D.F.; Perkins, H.O.; Sappenfield, E.L.; Journal of Solid State Chemistry 74 (1988) 419–423; doi:

data_1530468
_publ_section_title
;
 A structural investigation of monoclinic Sm Co (C N)6 * 4(H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              419
_journal_page_last               423
_journal_volume                  74
_journal_year                    1988
_chemical_formula_sum            'C6 H8 Co N6 O4 Sm'
_chemical_name_systematic        'Sm (Co (C N)6) (H2 O)4'
_space_group_IT_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                 120.08
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.365
_cell_length_b                   13.653
_cell_length_c                   7.385
_cell_volume                     642.586
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mullica_JSSCBI_1988_1650.cif
_cod_data_source_block           C6H8Co1N6O4Sm1
_cod_original_cell_volume        642.5861
_cod_original_formula_sum        'C6 H8 Co1 N6 O4 Sm1'
_cod_database_code               1530468
X-ray diffraction investigations and spectral analyses of monoclinic Sm K Fe (C N)6 (H2 O)3
Mullica, D.F.; Sappenfield, E.L.; Perkins, H.O.; Journal of Solid State Chemistry 78 (1989) 301–306; doi:

data_1530469
_publ_section_title
;
 X-ray diffraction investigations and spectral analyses of monoclinic Sm K
 Fe (C N)6 (H2 O)3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              301
_journal_page_last               306
_journal_volume                  78
_journal_year                    1989
_chemical_formula_sum            'C6 H6 Fe K N6 O3 Sm'
_chemical_name_systematic        'Sm K (Fe (C N)6) (H2 O)3'
_space_group_IT_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                 119.97
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.329
_cell_length_b                   13.689
_cell_length_c                   7.324
_cell_volume                     636.541
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mullica_JSSCBI_1989_1850.cif
_cod_data_source_block           C6H6Fe1K1N6O3Sm1
_cod_original_cell_volume        636.5413
_cod_original_formula_sum        'C6 H6 Fe1 K1 N6 O3 Sm1'
_cod_database_code               1530469
The structure of the double pyrovanadate K2 Mg V2 O7
Murashova, E.V.; Velikodnyi, Yu.A.; Trunov, V.K.; Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) 33 (1988) 904–905; doi:

data_4031479
_publ_section_title
;
 The structure of the double pyrovanadate K2 Mg V2 O7
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              904
_journal_page_last               905
_journal_volume                  33
_journal_year                    1988
_chemical_formula_sum            'K2 Mg O7 V2'
_chemical_name_systematic        'K2 Mg (V2 O7)'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.38
_cell_length_b                   8.38
_cell_length_c                   11.36
_cell_volume                     797.749
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Murashova_RJICAQ_1988_1743.cif
_cod_data_source_block           K2Mg1O7V2
_cod_original_cell_volume        797.7492
_cod_original_formula_sum        'K2 Mg1 O7 V2'
_cod_database_code               4031479
Neutron diffraction study of long-range antiferromagnetic order and crystal structure of uranium (III) tri-iodide
Murasik, A.; Fischer, P.; Szczepaniak, W.; Journal of Physics C 14 (1981) 1847–1854; doi:

data_1530470
_publ_section_title
;
 Neutron diffraction study of long-range antiferromagnetic order and
 crystal structure of uranium (III) tri-iodide
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              1847
_journal_page_last               1854
_journal_volume                  14
_journal_year                    1981
_chemical_formula_sum            'I3 U'
_chemical_name_systematic        'U I3'
_space_group_IT_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                   4.334
_cell_length_b                   14.024
_cell_length_c                   10.013
_cell_volume                     608.590
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Murasik_JPSOAW_1981_798.cif
_cod_data_source_block           I3U1
_cod_original_cell_volume        608.5903
_cod_original_formula_sum        'I3 U1'
_cod_database_code               1530470
The characterization and X-ray crystal structure of pentabromodiselenium hexafluoroarsenate, Se2 Br5 As F6. Some thermodynamic considerations and the nonexistence of Se2 I5 As F6
Murchie, M.; Passmore, J.; White, P.S.; Canadian Journal of Chemistry 65 (1987) 1584–1593; doi:

data_1530471
_publ_section_title
;
 The characterization and X-ray crystal structure of pentabromodiselenium
 hexafluoroarsenate, Se2 Br5 As F6. Some thermodynamic considerations and
 the nonexistence of Se2 I5 As F6
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              1584
_journal_page_last               1593
_journal_volume                  65
_journal_year                    1987
_chemical_formula_sum            'As Br5 F6 Se2'
_chemical_name_systematic        '(Br (Se Br2)2) (As F6)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   13.367
_cell_length_b                   13.367
_cell_length_c                   19
_cell_volume                     2940.032
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Murchie_CJCHAG_1987_1414.cif
_cod_data_source_block           As1Br5F6Se2
_cod_original_formula_sum        'As1 Br5 F6 Se2'
_cod_database_code               1530471