LMucko/crystallography-open-database huggingface dataset:
The structure of the 44 K superconductor (Y1-x Cax) Ba2 Cu3 O6+delta (delta <= 0.2)
Parise, J.B.; McCarron, E.M.; Journal of Solid State Chemistry 83 (1989) 188–197; doi:

data_1530548
_publ_section_title
;
 The structure of the 44 K superconductor (Y1-x Cax) Ba2 Cu3 O6+delta
 (delta <= 0.2)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              188
_journal_page_last               197
_journal_volume                  83
_journal_year                    1989
_chemical_formula_sum            'Ba2 Ca0.26 Cu3 O6 Y0.74'
_chemical_name_systematic        '(Y0.74 Ca0.26) Ba2 Cu3 O6'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.854
_cell_length_b                   3.854
_cell_length_c                   11.809
_cell_volume                     175.403
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Parise_JSSCBI_1989_1893.cif
_cod_data_source_block           Ba2Ca0.26Cu3O6Y0.74
_cod_original_cell_volume        175.4028
_cod_database_code               1530548
A new modification of Re O3 -type Mo O3 and the deuterated intercalation compound from which it is derived: D0.99 Mo O3
Parise, J.B.; McCarron, E.M.; Sleight, A.W.; Materials Research Bulletin 22 (1987) 803–811; doi:

data_1530549
_publ_section_title
;
 A new modification of Re O3 -type Mo O3 and the deuterated intercalation
 compound from which it is derived: D0.99 Mo O3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              803
_journal_page_last               811
_journal_volume                  22
_journal_year                    1987
_chemical_formula_sum            'D0.99 Mo O3'
_chemical_name_systematic        'D.99 Mo O3'
_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                   7.588
_cell_length_b                   7.588
_cell_length_c                   7.588
_cell_volume                     436.900
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Parise_MRBUAC_1987_1444.cif
_cod_data_source_block           D0.99Mo1O3
_cod_original_cell_volume        436.8999
_cod_original_formula_sum        'D0.99 Mo1 O3'
_cod_database_code               1530549
Crystal structural refinement of Na-exchanged stellerite
Passaglia, E.; Sacerdoti, M.; Bulletin de Mineralogie (101,1978-) 105 (1982) 338–342; doi:

data_1530550
_publ_section_title
;
 Crystal structural refinement of Na-exchanged stellerite
;
_journal_name_full               'Bulletin de Mineralogie (101,1978-)'
_journal_page_first              338
_journal_page_last               342
_journal_volume                  105
_journal_year                    1982
_chemical_formula_sum            'Al7.56 H39.36 Na7.52 O91.68 Si28.44'
_chemical_name_systematic        'Na7.52 (Si28.44 Al7.56 O72) (H2 O)19.68'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.611
_cell_length_b                   18.227
_cell_length_c                   17.858
_cell_volume                     4430.350
_citation_journal_id_ASTM        BULMD9
_cod_data_source_file            Passaglia_BULMD9_1982_924.cif
_cod_data_source_block           H39.36Al7.56Na7.52O91.68Si28.44
_cod_original_cell_volume        4430.35
_cod_original_formula_sum        'H39.36 Al7.56 Na7.52 O91.68 Si28.44'
_cod_database_code               1530550
The X-Ray crystal structures of Se Br3 Sb F6 and Te Br3 As F6
Passmore, J.; Richardson, E.K.; Whidden, T.K.; White, P.S.; Canadian Journal of Chemistry 58 (1980) 851–857; doi:

data_1530551
_publ_section_title
;
 The X-Ray crystal structures of Se Br3 Sb F6 and Te Br3 As F6
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              851
_journal_page_last               857
_journal_volume                  58
_journal_year                    1980
_chemical_formula_sum            'Br3 F6 Sb Se'
_chemical_name_systematic        'Se Br3 Sb F6'
_space_group_IT_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                   9.454
_cell_length_b                   12.623
_cell_length_c                   8.272
_cell_volume                     987.163
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Passmore_CJCHAG_1980_505.cif
_cod_data_source_block           Br3F6Sb1Se1
_cod_original_cell_volume        987.1627
_cod_original_formula_sum        'Br3 F6 Sb1 Se1'
_cod_database_code               1530551
The X-Ray crystal strucyures of Se Br3 Sb F6 and Te Br3 As F6
Passmore, J.; Whidden, T.K.; Richardson, E.K.; White, P.S.; Canadian Journal of Chemistry 58 (1980) 851–857; doi:

data_1530552
_publ_section_title
;
 The X-Ray crystal strucyures of Se Br3 Sb F6 and Te Br3 As F6
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              851
_journal_page_last               857
_journal_volume                  58
_journal_year                    1980
_chemical_formula_sum            'As Br3 F6 Te'
_chemical_name_systematic        'Te Br3 As F6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.66
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.994
_cell_length_b                   10.118
_cell_length_c                   12.306
_cell_volume                     981.237
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Passmore_CJCHAG_1980_506.cif
_cod_data_source_block           As1Br3F6Te1
_cod_original_cell_volume        981.2366
_cod_original_formula_sum        'As1 Br3 F6 Te1'
_cod_database_code               1530552
The synthesis and X-Ray crystal structure of triiodotellurium(IV) hexafluoroarsenate(V), Te I3 As F6
Passmore, J.; Sutherland, G.W.; White, P.S.; Canadian Journal of Chemistry 59 (1981) 2876–2878; doi:

data_1530553
_publ_section_title
;
 The synthesis and X-Ray crystal structure of triiodotellurium(IV)
 hexafluoroarsenate(V), Te I3 As F6
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              2876
_journal_page_last               2878
_journal_volume                  59
_journal_year                    1981
_chemical_formula_sum            'As F6 I3 Te'
_chemical_name_systematic        'Te I3 As F6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.91
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.243
_cell_length_b                   10.755
_cell_length_c                   12.66
_cell_volume                     1102.067
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Passmore_CJCHAG_1981_615.cif
_cod_data_source_block           As1F6I3Te1
_cod_original_formula_sum        'As1 F6 I3 Te1'
_cod_database_code               1530553
The preparation of S7 Br M F6 (M=As,Sb), and the preparation and crystal structure of (S7 Br)4 S4 (As F6)6 containing the bromo-cycloheptasulphur (1+) cation
Passmore, J.; Wong, C.-M.; Sutherland, G.W.; Whidden, T.K.; White, P.S.; Canadian Journal of Chemistry 63 (1985) 1209–1214; doi:

data_1530554
_publ_section_title
;
 The preparation of S7 Br M F6 (M=As,Sb), and the preparation and crystal
 structure of (S7 Br)4 S4 (As F6)6 containing the bromo-cycloheptasulphur
 (1+) cation
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              1209
_journal_page_last               1214
_journal_volume                  63
_journal_year                    1985
_chemical_formula_sum            'As6 Br4 F36 S32'
_chemical_name_systematic        '(S7 Br)4 S4 (As F6)6'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.19
_cell_length_b                   19.19
_cell_length_c                   8.01
_cell_volume                     2949.731
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Passmore_CJCHAG_1985_1115.cif
_cod_data_source_block           As6Br4F36S32
_cod_original_cell_volume        2949.732
_cod_database_code               1530554
Preparation and structural studies of lithium substituted nickel phosphorus trisulphide Li2 Ni P2 S6
Patel, S.N.; Balchin, A.A.; Solid State Ionics 14 (1984) 45–49; doi:

data_1530555
_publ_section_title
;
 Preparation and structural studies of lithium substituted nickel
 phosphorus trisulphide Li2 Ni P2 S6
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              45
_journal_page_last               49
_journal_volume                  14
_journal_year                    1984
_chemical_formula_sum            'Li2 Ni P2 S6'
_chemical_name_systematic        'Li2 Ni (P2 S6)'
_space_group_IT_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                 104.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.926
_cell_length_b                   10.917
_cell_length_c                   6.718
_cell_volume                     420.961
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Patel_SSIOD3_1984_998.cif
_cod_data_source_block           Li2Ni1P2S6
_cod_original_formula_sum        'Li2 Ni1 P2 S6'
_cod_database_code               1530555
Holdawayite, Mn6 (C O3)2 (O H)7 (Cl,O H), a structure containing anions in zeolite-like channels
Peacor, D.R.; Rouse, R.C.; American Mineralogist 73 (1988) 637–642; doi:

data_1530556
_publ_section_title
;
 Holdawayite, Mn6 (C O3)2 (O H)7 (Cl,O H), a structure containing anions
 in zeolite-like channels
;
_journal_name_full               'American Mineralogist'
_journal_page_first              637
_journal_page_last               642
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'C2 H7.15 Cl0.85 Mg0.42 Mn5.58 O13.15'
_chemical_name_systematic
'(Mn5.58 Mg0.42) (C O3)2 (O H)7 (Cl0.85 (O H)0.15)'
_space_group_IT_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                 111.15
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.437
_cell_length_b                   3.3137
_cell_length_c                   16.618
_cell_volume                     1203.670
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Peacor_AMMIAY_1988_1615.cif
_cod_data_source_block           C2H7.15Cl0.85Mg0.42Mn5.58O13.15
_cod_original_cell_volume        1203.67
_cod_database_code               1530556
Effects of dehydration and X-ray irradiation on the structure of Mn Na Y zeolite
Pearce, J.R.; Mortier, W.J.; Lunsford, J.H.; Uytterhoeven, J.B.; Journal of the Chemical Society. Faraday Transactions 1. 75 (1979) 898–906; doi:

data_1530557
_publ_section_title
;
 Effects of dehydration and X-ray irradiation on the structure of Mn Na Y
 zeolite
;
_journal_name_full
'Journal of the Chemical Society. Faraday Transactions 1.'
_journal_page_first              898
_journal_page_last               906
_journal_volume                  75
_journal_year                    1979
_chemical_formula_sum            'Al3.48 Na0.84 O24.84 Si8.52'
_chemical_name_systematic        'Mn1.21 Na1.09 Al3.5 Si8.5 O24 (H2 O)16.375'
_space_group_IT_number           227
_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            16
_cell_length_a                   24.67999
_cell_length_b                   24.67999
_cell_length_c                   24.67999
_cell_volume                     15032.629
_citation_journal_id_ASTM        JCFTAR
_cod_data_source_file            Pearce_JCFTAR_1979_479.cif
_cod_data_source_block           Al3.48Na0.84O24.84Si8.52
_cod_original_cell_volume        15032.63
_cod_database_code               1530557
Effects of dehydration and X-ray irradiation on the structure of Mn Na Y zeolite
Pearce, J.R.; Lunsford, J.H.; Mortier, W.J.; Uytterhoeven, J.B.; Journal of the Chemical Society. Faraday Transactions 1. 75 (1979) 898–906; doi:

data_1530558
_publ_section_title
;
 Effects of dehydration and X-ray irradiation on the structure of Mn Na Y
 zeolite
;
_journal_name_full
'Journal of the Chemical Society. Faraday Transactions 1.'
_journal_page_first              898
_journal_page_last               906
_journal_volume                  75
_journal_year                    1979
_chemical_formula_sum            'Al3.48 Mn1.15 O24.44 Si8.52'
_chemical_name_systematic        'Mn1.21 Na1.09 Al3.5 Si8.5 O24 (H2 O)7.75'
_space_group_IT_number           227
_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            16
_cell_length_a                   24.71999
_cell_length_b                   24.71999
_cell_length_c                   24.71999
_cell_volume                     15105.840
_citation_journal_id_ASTM        JCFTAR
_cod_data_source_file            Pearce_JCFTAR_1979_480.cif
_cod_data_source_block           Al3.48Mn1.15O24.44Si8.52
_cod_original_cell_volume        15105.84
_cod_database_code               1530558
Effects of dehydration and X-ray irradiation on the structure of Mn Na Y zeolite
Pearce, J.R.; Mortier, W.J.; Uytterhoeven, J.B.; Lunsford, J.H.; Journal of the Chemical Society. Faraday Transactions 1. 75 (1979) 898–906; doi:

data_1530559
_publ_section_title
;
 Effects of dehydration and X-ray irradiation on the structure of Mn Na Y
 zeolite
;
_journal_name_full
'Journal of the Chemical Society. Faraday Transactions 1.'
_journal_page_first              898
_journal_page_last               906
_journal_volume                  75
_journal_year                    1979
_chemical_formula_sum            'Al3.48 Mn1.28 O25.26 Si8.52'
_chemical_name_systematic        'Mn1.21 Na1.09 Al3.5 Si8.5 O24 (H2 O)7.26'
_space_group_IT_number           227
_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            16
_cell_length_a                   24.73
_cell_length_b                   24.73
_cell_length_c                   24.73
_cell_volume                     15124.198
_citation_journal_id_ASTM        JCFTAR
_cod_data_source_file            Pearce_JCFTAR_1979_481.cif
_cod_data_source_block           Al3.48Mn1.28O25.26Si8.52
_cod_original_cell_volume        15124.2
_cod_database_code               1530559
Interchain exchange energies in 1-dimensional magnetic fluoromanganates(III) as a function of Mn-F-Mn bridge angle and crystal structure of Li2 Mn F5
Pebler, J.; Massa, W.; Lass, H.; Ziegler, B.; Journal of Solid State Chemistry 71 (1987) 87–94; doi:

data_1530560
_publ_section_title
;
 Interchain exchange energies in 1-dimensional magnetic
 fluoromanganates(III) as a function of Mn-F-Mn bridge angle and crystal
 structure of Li2 Mn F5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              87
_journal_page_last               94
_journal_volume                  71
_journal_year                    1987
_chemical_formula_sum            'F5 Li2 Mn'
_chemical_name_systematic        'Li2 Mn F5'
_space_group_IT_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                 112.19
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.016
_cell_length_b                   4.948
_cell_length_c                   7.408
_cell_volume                     339.943
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pebler_JSSCBI_1987_1491.cif
_cod_data_source_block           F5Li2Mn1
_cod_original_cell_volume        339.9431
_cod_original_formula_sum        'F5 Li2 Mn1'
_cod_database_code               1530560
Crystal structure of the compound La Re2 Si2
Pecharskii, V.K.; Bodak, O.I.; Gladyshevskii, E.I.; Kristallografiya 22 (1977) 630–633; doi:

data_1530561
_publ_section_title
;
 Crystal structure of the compound La Re2 Si2
;
_journal_name_full               Kristallografiya
_journal_page_first              630
_journal_page_last               633
_journal_volume                  22
_journal_year                    1977
_chemical_formula_sum            'La Re2 Si2'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.206
_cell_length_b                   4.116
_cell_length_c                   20.89
_cell_volume                     361.646
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Pecharskii_KRISAJ_1977_160.cif
_cod_data_source_block           La1Re2Si2
_cod_original_cell_volume        361.6455
_cod_original_formula_sum        'La1 Re2 Si2'
_cod_database_code               1530561
The crystal structure of bafertisite - the new mineral discovered in China
Pen, C.C.; Chen, C.C.; Scientia Sinica 12 (1963) 278–280; doi:

data_1530562
_publ_section_title
;
 The crystal structure of bafertisite - the new mineral discovered in
 China
;
_journal_name_full               'Scientia Sinica'
_journal_page_first              278
_journal_page_last               280
_journal_volume                  12
_journal_year                    1963
_chemical_formula_sum            'Ba Fe2 H2 O10 Si2 Ti'
_chemical_name_systematic        'Ba Fe2 Ti (Si2 O7) O (O H)2'
_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                 94
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.98
_cell_length_b                   6.8
_cell_length_c                   5.36
_cell_volume                     399.224
_citation_journal_id_ASTM        SSINAV
_cod_data_source_file            Pen_SSINAV_1963_1788.cif
_cod_data_source_block           H2Ba1Fe2O10Si2Ti1
_cod_original_cell_volume        399.2242
_cod_original_formula_sum        'H2 Ba1 Fe2 O10 Si2 Ti1'
_cod_database_code               1530562
Growth of single crystals of the Yb Mo6 S8 phase and refinement of its crystal structure
Pena, O.; Gougeon, P.; Sergent, M.; Horyn, R.; Journal of the Less-Common Metals 99 (1984) 225–232; doi:

data_1530563
_publ_section_title
;
 Growth of single crystals of the Yb Mo6 S8 phase and refinement of its
 crystal structure
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              225
_journal_page_last               232
_journal_volume                  99
_journal_year                    1984
_chemical_formula_sum            'Mo6 S8 Yb'
_chemical_name_systematic        'Yb Mo6 S8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                89.374
_cell_angle_beta                 89.374
_cell_angle_gamma                89.374
_cell_formula_units_Z            1
_cell_length_a                   6.5063
_cell_length_b                   6.5063
_cell_length_c                   6.5063
_cell_volume                     275.375
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Pena_JCOMAH_1984_999.cif
_cod_data_source_block           Mo6S8Yb1
_cod_original_cell_volume        275.3753
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Mo6 S8 Yb1'
_cod_database_code               1530563
Crystal structure and physical properties of Eu Mo6 S8 single crystals at ambient pressure
Pena, O.; Horyn, R.; Padiou, J.; Geantet, C.; Gougeon, P.; Sergent, M.; Journal of Solid State Chemistry 63 (1986) 62–69; doi:

data_1530564
_publ_section_title
;
 Crystal structure and physical properties of Eu Mo6 S8 single crystals at
 ambient pressure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              62
_journal_page_last               69
_journal_volume                  63
_journal_year                    1986
_chemical_formula_sum            'Eu Mo6 S8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                88.931
_cell_angle_beta                 88.931
_cell_angle_gamma                88.931
_cell_formula_units_Z            1
_cell_length_a                   6.5531
_cell_length_b                   6.5531
_cell_length_c                   6.5531
_cell_volume                     281.265
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pena_JSSCBI_1986_1127.cif
_cod_data_source_block           Eu1Mo6S8
_cod_original_cell_volume        281.2654
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Eu1 Mo6 S8'
_cod_database_code               1530564
Crystal growth, crystal structure and physical characterization of Ce Mo6 S8
Pena, O.; Padiou, J.; Horyn, R.; Potel, M.; Geantet, C.; Sergent, M.; Materials Research Bulletin 22 (1987) 109–116; doi:

data_1530565
_publ_section_title
;
 Crystal growth, crystal structure and physical characterization of Ce Mo6
 S8
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              109
_journal_page_last               116
_journal_volume                  22
_journal_year                    1987
_chemical_formula_sum            'Ce Mo6 S8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                88.83
_cell_angle_beta                 88.83
_cell_angle_gamma                88.83
_cell_formula_units_Z            1
_cell_length_a                   6.509
_cell_length_b                   6.509
_cell_length_c                   6.509
_cell_volume                     275.597
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Pena_MRBUAC_1987_1415.cif
_cod_data_source_block           Ce1Mo6S8
_cod_original_cell_volume        275.5971
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Ce1 Mo6 S8'
_cod_database_code               1530565