LMucko/crystallography-open-database huggingface dataset:
Structural characterization of W Cl6 S8
Cotton, F.A.; Kibala, P.A.; Sandor, R.B.W.; Acta Crystallographica C (39,1983-) 45 (1989) 1287–1289; doi:

data_2020248
_publ_section_title
;
 Structural characterization of W Cl6 S8
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1287
_journal_page_last               1289
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'Cl6 S8 W'
_chemical_name_systematic        'W Cl6 S8'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.08
_cell_angle_beta                 100.5
_cell_angle_gamma                90.26
_cell_formula_units_Z            2
_cell_length_a                   7.901
_cell_length_b                   7.923
_cell_length_c                   12.696
_cell_volume                     775.201
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Cotton_ACSCEE_1989_752.cif
_cod_data_source_block           Cl6S8W1
_cod_original_cell_volume        775.2009
_cod_original_formula_sum        'Cl6 S8 W1'
_cod_database_code               2020248
Some A B3 compounds of the transition metals
Dwight, A.E.; Conner, R.A.jr.; Acta Crystallographica (1,1948-23,1967) 14 (1961) 75–76; doi:

data_2311009
_publ_section_title
;
 Some A B3 compounds of the transition metals
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              75
_journal_page_last               76
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Ho Pt3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.064
_cell_length_b                   4.064
_cell_length_c                   4.064
_cell_volume                     67.121
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Dwight_ACCRA9_1961_1241.cif
_cod_data_source_block           Ho1Pt3
_cod_original_cell_volume        67.12142
_cod_original_formula_sum        'Ho1 Pt3'
_cod_database_code               2311009
The crystal structure of potassium thioferrite K Fe S2 and sodium thiochromite Na Cr S2
Boon, J.W.; McGillavry, C.H.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 61 (1942) 910–920; doi:

data_1539842
_publ_section_title
;
 The crystal structure of potassium thioferrite K Fe S2 and sodium
 thiochromite Na Cr S2
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              910
_journal_page_last               920
_journal_volume                  61
_journal_year                    1942
_chemical_formula_sum            'Cr Na S2'
_chemical_name_systematic        'Na (Cr S2)'
_space_group_IT_number           166
_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                   3.51
_cell_length_b                   3.51
_cell_length_c                   19.57
_cell_volume                     208.802
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Boon_RTCPA3_1942_1319.cif
_cod_data_source_block           Cr1Na1S2
_cod_original_cell_volume        208.8025
_cod_original_formula_sum        'Cr1 Na1 S2'
_cod_database_code               1539842
Structure of the second polymorph of niobium pentachloride
Cotton, F.A.; Kibala, P.A.; Matusz, M.; Sandor, R.B.W.; Acta Crystallographica C (39,1983-) 47 (1991) 2435–2437; doi:

data_2020249
_publ_section_title
;
 Structure of the second polymorph of niobium pentachloride
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2435
_journal_page_last               2437
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Cl5 Nb'
_chemical_name_systematic        'Nb Cl5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.58
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.785
_cell_length_b                   10.201
_cell_length_c                   8.074
_cell_volume                     641.162
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Cotton_ACSCEE_1991_1594.cif
_cod_data_source_block           Cl5Nb1
_cod_original_cell_volume        641.1622
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cl5 Nb1'
_cod_database_code               2020249
Some A B3 compounds of the transition metals
Dwight, A.E.; Conner, R.A.jr.; Acta Crystallographica (1,1948-23,1967) 14 (1961) 75–76; doi:

data_2311010
_publ_section_title
;
 Some A B3 compounds of the transition metals
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              75
_journal_page_last               76
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Pd3 V'
_space_group_IT_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                   3.847
_cell_length_b                   3.847
_cell_length_c                   7.753
_cell_volume                     114.740
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Dwight_ACCRA9_1961_1260.cif
_cod_data_source_block           Pd3V1
_cod_original_cell_volume        114.7398
_cod_original_formula_sum        'Pd3 V1'
_cod_database_code               2311010
Synthesis and structure determination of complex zinc hydrides part 2. Tripotassiumtetrahydridozincate(II) hydride, K3[Zn H4]H
Bortz, M.; Yvon, K.; Fischer, P.; Journal of Alloys Compd. 216 (1994) 43–45; doi:

data_1539843
_publ_section_title
;
 Synthesis and structure determination of complex zinc hydrides part 2.
 Tripotassiumtetrahydridozincate(II) hydride, K3[Zn H4]H
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              43
_journal_page_last               45
_journal_volume                  216
_journal_year                    1994
_chemical_formula_sum            'D5 K3 Zn'
_chemical_name_systematic        'K3 Zn D5'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5819
_cell_length_b                   7.5819
_cell_length_c                   11.1671
_cell_volume                     641.943
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Bortz_JALCEU_1994_1019.cif
_cod_data_source_block           D5K3Zn1
_cod_original_cell_volume        641.9431
_cod_original_formula_sum        'D5 K3 Zn1'
_cod_database_code               1539843
Stabilizing of the (Ru2)(6+) core. Use of highly charged ligands as sulfate and phosphate
Cotton, F.A.; Labella, L.; Datta, T.; Shang, M.; Inorganica Chimica Acta 203 (1993) 55–60; doi:

data_1539844
_publ_section_title
;
 Stabilizing of the (Ru2)(6+) core. Use of highly charged ligands as
 sulfate and phosphate
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              55
_journal_page_last               60
_journal_volume                  203
_journal_year                    1993
_chemical_formula_sum            'H7 K4 O18 P4 Ru2'
_chemical_name_systematic        'K4 ((H2 O)2 (H P O4)3 (P O4) Ru2)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.48
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.049
_cell_length_b                   9.418
_cell_length_c                   10.235
_cell_volume                     872.232
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Cotton_ICHAA3_1993_1586.cif
_cod_data_source_block           H7K4O18P4Ru2
_cod_original_cell_volume        872.2317
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1539844
Some A B3 compounds of the transition metals
Dwight, A.E.; Conner, R.A.jr.; Acta Crystallographica (1,1948-23,1967) 14 (1961) 75–76; doi:

data_2311011
_publ_section_title
;
 Some A B3 compounds of the transition metals
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              75
_journal_page_last               76
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Pt3 V'
_space_group_IT_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                   3.861
_cell_length_b                   3.861
_cell_length_c                   7.824
_cell_volume                     116.635
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Dwight_ACCRA9_1961_1262.cif
_cod_data_source_block           Pt3V1
_cod_original_cell_volume        116.6349
_cod_original_formula_sum        'Pt3 V1'
_cod_database_code               2311011
The crystal structure of K7 Nb (S O4)6 and K7 Ta (S O4) 6
Borup, F.; Nielson, K.; Berg, R.W.; Acta Chemica Scandinavica (43,1989-) 44 (1990) 328–331; doi:

data_1539845
_publ_section_title
;
 The crystal structure of K7 Nb (S O4)6 and K7 Ta (S O4) 6
;
_journal_name_full               'Acta Chemica Scandinavica (43,1989-)'
_journal_page_first              328
_journal_page_last               331
_journal_volume                  44
_journal_year                    1990
_chemical_formula_sum            'K7 Nb O24 S6'
_chemical_name_systematic        'K7 Nb (S O4)6'
_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            3
_cell_length_a                   15.106
_cell_length_b                   15.106
_cell_length_c                   9.254
_cell_volume                     1828.770
_citation_journal_id_ASTM        ACHSE7
_cod_data_source_file            Borup_ACHSE7_1990_1469.cif
_cod_data_source_block           K7Nb1O24S6
_cod_original_cell_volume        1828.77
_cod_original_formula_sum        'K7 Nb1 O24 S6'
_cod_database_code               1539845
Synthesis and structural characterization of a new polymorph of tungsten(VI) sulfide tetrachloride, W S Cl4
Cotton, F.A.; Kibala, P.A.; Sandor, R.B.W.; Inorganic Chemistry 28 (1989) 2485–2487; doi:

data_4344368
_publ_section_title
;
 Synthesis and structural characterization of a new polymorph of
 tungsten(VI) sulfide tetrachloride, W S Cl4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2485
_journal_page_last               2487
_journal_volume                  28
_journal_year                    1989
_chemical_formula_sum            'Cl4 S W'
_chemical_name_systematic        'W S Cl4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.4
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.898
_cell_length_b                   12.434
_cell_length_c                   12.08
_cell_volume                     1244.360
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Cotton_INOCAJ_1989_983.cif
_cod_data_source_block           Cl4S1W1
_cod_original_cell_volume        1244.36
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cl4 S1 W1'
_cod_database_code               4344368
A study of the uranium-aluminum-silcon system
Dwight, A.E.; Argonne Natl. Lab. 1982 (1982) 1–36; doi:

data_1539846
_publ_section_title
;
 A study of the uranium-aluminum-silcon system
;
_journal_name_full               'Argonne Natl. Lab.'
_journal_page_first              1
_journal_page_last               36
_journal_volume                  1982
_journal_year                    1982
_chemical_formula_sum            'Si2 U'
_chemical_name_systematic        'U Si2'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.839
_cell_length_b                   3.839
_cell_length_c                   4.72
_cell_volume                     60.243
_citation_journal_id_ASTM        XANLDG
_cod_data_source_file            Dwight_XANLDG_1982_21.cif
_cod_data_source_block           Si2U1
_cod_original_cell_volume        60.24331
_cod_original_formula_sum        'Si2 U1'
_cod_database_code               1539846
The crystal structure of K7Nb(SO4)6 and K7Ta(SO4) 6
Borup, F.; Berg, R.W.; Nielson, K.; Acta Chemica Scandinavica (43,1989-) 44 (1990) 328–331; doi:

data_1539847
_publ_section_title
;
 The crystal structure of K7Nb(SO4)6 and K7Ta(SO4) 6
;
_journal_name_full               'Acta Chemica Scandinavica (43,1989-)'
_journal_page_first              328
_journal_page_last               331
_journal_volume                  44
_journal_year                    1990
_chemical_formula_sum            'K7 O24 S6 Ta'
_chemical_name_systematic        'K7 Ta (S O4)6'
_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            3
_cell_length_a                   14.969
_cell_length_b                   14.969
_cell_length_c                   9.283
_cell_volume                     1801.377
_citation_journal_id_ASTM        ACHSE7
_cod_data_source_file            Borup_ACHSE7_1990_1470.cif
_cod_data_source_block           K7O24S6Ta1
_cod_original_formula_sum        'K7 O24 S6 Ta1'
_cod_database_code               1539847
Neutron-powder-diffraction study of the structure and antiferromagnetic ordering in Pr2 Cu O4
Cox, D.E.; Goldman, A.I.; Subramanian, M.A.; Gopalakrishnan, J.; Sleight, A.W.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 40 (1989) 6998–7004; doi:

data_1539848
_publ_section_title
;
 Neutron-powder-diffraction study of the structure and antiferromagnetic
 ordering in Pr2 Cu O4
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              6998
_journal_page_last               7004
_journal_volume                  40
_journal_year                    1989
_chemical_formula_sum            'Cu O4 Pr2'
_chemical_name_systematic        'Pr2 Cu O4'
_space_group_IT_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                   3.9615
_cell_length_b                   3.9615
_cell_length_c                   12.214
_cell_volume                     191.680
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Cox_PRBMDO_1989_1153.cif
_cod_data_source_block           Cu1O4Pr2
_cod_original_cell_volume        191.6802
_cod_original_formula_sum        'Cu1 O4 Pr2'
_cod_database_code               1539848
Determination of the antimony substitution site in calcium fluorapatite from powder x-ray diffraction data
de Boer, B.G.; Young, R.A.; Cagle, J.R.; Sakthivel, A.; Acta Crystallographica B (39,1983-) 47 (1991) 683–692; doi:

data_2107233
_publ_section_title
;
 Determination of the antimony substitution site in calcium fluorapatite
 from powder x-ray diffraction data
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              683
_journal_page_last               692
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ca5.14 F0.97 O12.246 P3 Sb0.092'
_chemical_name_systematic        'Ca5.14 Sb.092 (P O4.082)3 F.97'
_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                   9.375
_cell_length_b                   9.375
_cell_length_c                   6.8904
_cell_volume                     524.466
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            deBoer_ASBSDK_1991_1612.cif
_cod_data_source_block           Ca5.14F0.97O12.246P3Sb0.092
_cod_original_cell_volume        524.4663
_cod_database_code               2107233
Sesquioxyde de plomb, Pb2 O3. I. Determination de la structure
Bouvaist, J.; Weigel, D.; Acta Crystallographica A (24,1968-38,1982) 26 (1970) 501–510; doi:

data_2311012
_publ_section_title
;
 Sesquioxyde de plomb, Pb2 O3. I. Determination de la structure
;
_journal_name_full               'Acta Crystallographica A (24,1968-38,1982)'
_journal_page_first              501
_journal_page_last               510
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'O3 Pb2'
_chemical_name_systematic        'Pb2 O3'
_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                 113.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.565
_cell_length_b                   5.625
_cell_length_c                   7.814
_cell_volume                     305.622
_citation_journal_id_ASTM        ACACBN
_cod_data_source_file            Bouvaist_ACACBN_1970_493.cif
_cod_data_source_block           O3Pb2
_cod_original_cell_volume        305.6218
_cod_database_code               2311012
Determination of the antimony substitution site in calcium fluorapatite from powder x-ray diffraction data
de Boer, B.G.; Sakthivel, A.; Cagle, J.R.; Young, R.A.; Acta Crystallographica B (39,1983-) 47 (1991) 683–692; doi:

data_2107234
_publ_section_title
;
 Determination of the antimony substitution site in calcium fluorapatite
 from powder x-ray diffraction data
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              683
_journal_page_last               692
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ca5.17 F1.04 O12.414 P3 Sb0.14'
_chemical_name_systematic        'Ca5.17 Sb.14 (P O4.138)3 F1.04'
_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                   9.3713
_cell_length_b                   9.3713
_cell_length_c                   6.8866
_cell_volume                     523.763
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            deBoer_ASBSDK_1991_1613.cif
_cod_data_source_block           Ca5.17F1.04O12.414P3Sb0.14
_cod_original_cell_volume        523.7634
_cod_database_code               2107234
Crystal structure and magnetic properties of ternary rare earth compounds of the type R Mn Ga
Brabers, J.H.V.J.; de Boer, F.R.; Buschow, K.H.J.; Journal of Alloys Compd. 179 (1992) 227–233; doi:

data_1539849
_publ_section_title
;
 Crystal structure and magnetic properties of ternary rare earth compounds
 of the type R Mn Ga
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              227
_journal_page_last               233
_journal_volume                  179
_journal_year                    1992
_chemical_formula_sum            'Ce Ga Mn'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.947
_cell_length_b                   7.947
_cell_length_c                   7.947
_cell_volume                     501.891
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Brabers_JALCEU_1992_712.cif
_cod_data_source_block           Ce1Ga1Mn1
_cod_original_cell_volume        501.8913
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Ce1 Ga1 Mn1'
_cod_database_code               1539849
The crystal structure of Cu Ta S3
Crevecoeur, C.; Romers, C.; Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences: Proceedings 67 (1964) 289–291; doi:

data_1539850
_publ_section_title
;
 The crystal structure of Cu Ta S3
;
_journal_name_full
;
Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical 
Sciences: Proceedings
;
_journal_page_first              289
_journal_page_last               291
_journal_volume                  67
_journal_year                    1964
_chemical_formula_sum            'Cu S3 Ta'
_chemical_name_systematic        'Cu (Ta S3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.49
_cell_length_b                   11.82
_cell_length_c                   3.53
_cell_volume                     395.966
_citation_journal_id_ASTM        KNWBAA
_cod_data_source_file            Crevecoeur_KNWBAA_1964_1287.cif
_cod_data_source_block           Cu1S3Ta1
_cod_original_cell_volume        395.9664
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cu1 S3 Ta1'
_cod_database_code               1539850