LMucko/crystallography-open-database huggingface dataset:
The crystal structure of potassium bromorhenate(IV)
Templeton, D.H.; Dauben, C.H.; Journal of the American Chemical Society 73 (1951) 4492–4493; doi:

data_4124686
_publ_section_title
;
 The crystal structure of potassium bromorhenate(IV)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4492
_journal_page_last               4493
_journal_volume                  73
_journal_year                    1951
_chemical_formula_sum            'Br6 K2 Re'
_chemical_name_systematic        'K2 (Re Br6)'
_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            4
_cell_length_a                   10.445
_cell_length_b                   10.445
_cell_length_c                   10.445
_cell_volume                     1139.529
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Templeton_JACSAT_1951_1459.cif
_cod_data_source_block           Br6K2Re1
_cod_original_formula_sum        'Br6 K2 Re1'
_cod_database_code               4124686
Structure of samarium(III) iodate monohydrate
Sen Gupta, P.K.; Ammon, H.L.; Acta Crystallographica C (39,1983-) 45 (1989) 175–178; doi:

data_2020220
_publ_section_title
;
 Structure of samarium(III) iodate monohydrate
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              175
_journal_page_last               178
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'H2 I3 O10 Sm'
_chemical_name_systematic        'Sm (I O3)3 (H2 O)'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.109
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.133
_cell_length_b                   6.6571
_cell_length_c                   7.311
_cell_volume                     453.601
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            SenGupta_ACSCEE_1989_1762.cif
_cod_data_source_block           H2I3O10Sm1
_cod_original_cell_volume        453.6014
_cod_original_formula_sum        'H2 I3 O10 Sm1'
_cod_database_code               2020220
Pseudo-binary systems involving rare earth laves phases
Wernick, J.H.; Haszko, S.E.; Dorsi, D.; Journal of Physics and Chemistry of Solids 23 (1962) 567–572; doi:

data_1539314
_publ_section_title
;
 Pseudo-binary systems involving rare earth laves phases
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              567
_journal_page_last               572
_journal_volume                  23
_journal_year                    1962
_chemical_formula_sum            'Mn2 Tb'
_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                   7.62
_cell_length_b                   7.62
_cell_length_c                   7.62
_cell_volume                     442.451
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Wernick_JPCSAW_1962_667.cif
_cod_data_source_block           Mn2Tb1
_cod_original_cell_volume        442.4507
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Mn2 Tb1'
_cod_database_code               1539314
Crystal Structures of Americium Compounds
Templeton, D.H.; Dauben, C.H.; Journal of the American Chemical Society 75 (1953) 4560–4562; doi:

data_4124687
_publ_section_title
;
 Crystal Structures of Americium Compounds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4560
_journal_page_last               4562
_journal_volume                  75
_journal_year                    1953
_chemical_formula_sum            'Am Cl O'
_chemical_name_systematic        'Am O Cl'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4
_cell_length_b                   4
_cell_length_c                   6.78
_cell_volume                     108.480
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Templeton_JACSAT_1953_1432.cif
_cod_data_source_block           Am1Cl1O1
_cod_original_cell_volume        108.48
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Am1 Cl1 O1'
_cod_database_code               4124687
Etude de carbosiliciures de mangenese
Senateur, J.P.; Spinat, P.; Fruchart, R.; Colloques Internationaux du Centre National de la Recherche Scientifique 1967 (1967) 127–134; doi:

data_1539315
_publ_section_title
;
 Etude de carbosiliciures de mangenese
;
_journal_name_full
;
Colloques Internationaux du Centre National de la Recherche Scientifique
;
_journal_page_first              127
_journal_page_last               134
_journal_volume                  1967
_journal_year                    1967
_chemical_formula_sum            'Mn3 Si'
_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            4
_cell_length_a                   5.715
_cell_length_b                   5.715
_cell_length_c                   5.715
_cell_volume                     186.659
_citation_journal_id_ASTM        COINAV
_cod_data_source_file            Senateur_COINAV_1967_653.cif
_cod_data_source_block           Mn3Si1
_cod_original_cell_volume        186.6589
_cod_original_formula_sum        'Mn3 Si1'
_cod_database_code               1539315
Superconductivity in ternary Heusler intermetallic compounds
Wernick, J.H.; Hull, G.W.; Bernardini, J.E.; Geballe, T.H.; Waszczak, J.V.; Materials Letters 2 (1983) 90–92; doi:

data_1539316
_publ_section_title
;
 Superconductivity in ternary Heusler intermetallic compounds
;
_journal_name_full               'Materials Letters'
_journal_page_first              90
_journal_page_last               92
_journal_volume                  2
_journal_year                    1983
_chemical_formula_sum            'Nb Ni2 Sn'
_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            4
_cell_length_a                   6.179
_cell_length_b                   6.179
_cell_length_c                   6.179
_cell_volume                     235.914
_citation_journal_id_ASTM        MLETDJ
_cod_data_source_file            Wernick_MLETDJ_1983_822.cif
_cod_data_source_block           Nb1Ni2Sn1
_cod_original_cell_volume        235.9145
_cod_original_formula_sum        'Nb1 Ni2 Sn1'
_cod_database_code               1539316
Crystal Structures of Americium Compounds
Templeton, D.H.; Dauben, C.H.; Journal of the American Chemical Society 75 (1953) 4560–4562; doi:

data_4124688
_publ_section_title
;
 Crystal Structures of Americium Compounds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4560
_journal_page_last               4562
_journal_volume                  75
_journal_year                    1953
_chemical_formula_sum            'Am2 O3'
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.03
_cell_length_b                   11.03
_cell_length_c                   11.03
_cell_volume                     1341.920
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Templeton_JACSAT_1953_1433.cif
_cod_data_source_block           Am2O3
_cod_original_cell_volume        1341.92
_cod_database_code               4124688
Ytterbochalkogenide
Senff, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 242 (1939) 92–96; doi:

data_1539317
_publ_section_title
;
 Ytterbochalkogenide
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              92
_journal_page_last               96
_journal_volume                  242
_journal_year                    1939
_chemical_formula_sum            'Se Yb'
_chemical_name_systematic        'Yb Se'
_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            4
_cell_length_a                   5.878
_cell_length_b                   5.878
_cell_length_c                   5.878
_cell_volume                     203.090
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Senff_ZAACAB_1939_1975.cif
_cod_data_source_block           Se1Yb1
_cod_original_cell_volume        203.0901
_cod_original_formula_sum        'Se1 Yb1'
_cod_database_code               1539317
Rare-earth compounds with the MgCu2 structure
Wernick, J.H.; Geller, S.; Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers 218 (1960) 866–868; doi:

data_1539318
_publ_section_title
;
 Rare-earth compounds with the MgCu2 structure
;
_journal_name_full
;
Transactions of the American Institute of Mining, Metallurgical and Petroleum 
Engineers
;
_journal_page_first              866
_journal_page_last               868
_journal_volume                  218
_journal_year                    1960
_chemical_formula_sum            'Ni2 Sm'
_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                   7.226
_cell_length_b                   7.226
_cell_length_c                   7.226
_cell_volume                     377.306
_citation_journal_id_ASTM        TAIMAF
_cod_data_source_file            Wernick_TAIMAF_1960_1065.cif
_cod_data_source_block           Ni2Sm1
_cod_original_cell_volume        377.3061
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Ni2 Sm1'
_cod_database_code               1539318
Crystal and molecular structure of xenon tetrafluoride
Templeton, D.H.; Zalkin, A.; Williamson, S.M.; Forrester, J.D.; Journal of the American Chemical Society 85 (1963) 242–242; doi:

data_4124689
_publ_section_title
;
 Crystal and molecular structure of xenon tetrafluoride
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              242
_journal_page_last               242
_journal_volume                  85
_journal_year                    1963
_chemical_formula_sum            'F4 Xe'
_chemical_name_systematic        'Xe F4'
_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                 99.6
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.05
_cell_length_b                   5.922
_cell_length_c                   5.771
_cell_volume                     170.171
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Templeton_JACSAT_1963_1462.cif
_cod_data_source_block           F4Xe1
_cod_original_cell_volume        170.1712
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'F4 Xe1'
_cod_database_code               4124689
Ferromagnetic resonance investigations in Mn Sb1-x In X Films
Seshu Bai, V.; Rama Rao, K.V.S.; Physica Status Solidi, Sectio A: Applied Research 73 (1982) K303–K305; doi:

data_1539319
_publ_section_title
;
 Ferromagnetic resonance investigations in Mn Sb1-x In X Films
;
_journal_name_full
'Physica Status Solidi, Sectio A: Applied Research'
_journal_page_first              K303
_journal_page_last               K305
_journal_volume                  73
_journal_year                    1982
_chemical_formula_sum            'Mn Sb'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.14
_cell_length_b                   4.14
_cell_length_c                   5.79
_cell_volume                     85.943
_citation_journal_id_ASTM        PSSABA
_cod_data_source_file            SeshuBai_PSSABA_1982_649.cif
_cod_data_source_block           Mn1Sb1
_cod_original_cell_volume        85.94287
_cod_original_formula_sum        'Mn1 Sb1'
_cod_database_code               1539319
Rare-earth compounds with the MgCu2 structure
Wernick, J.H.; Geller, S.; Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers 218 (1960) 866–868; doi:

data_1539320
_publ_section_title
;
 Rare-earth compounds with the MgCu2 structure
;
_journal_name_full
;
Transactions of the American Institute of Mining, Metallurgical and Petroleum 
Engineers
;
_journal_page_first              866
_journal_page_last               868
_journal_volume                  218
_journal_year                    1960
_chemical_formula_sum            'Ni2 Tb'
_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                   7.16
_cell_length_b                   7.16
_cell_length_c                   7.16
_cell_volume                     367.062
_citation_journal_id_ASTM        TAIMAF
_cod_data_source_file            Wernick_TAIMAF_1960_1095.cif
_cod_data_source_block           Ni2Tb1
_cod_original_cell_volume        367.0617
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Ni2 Tb1'
_cod_database_code               1539320
Crystal and Molecular Structure of Xenon Trioxide
Templeton, D.H.; Zalkin, A.; Forrester, J.D.; Williamson, S.W.; Journal of the American Chemical Society 85 (1963) 817–817; doi:

data_4124690
_publ_section_title
;
 Crystal and Molecular Structure of Xenon Trioxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              817
_journal_page_last               817
_journal_volume                  85
_journal_year                    1963
_chemical_formula_sum            'O3 Xe'
_chemical_name_systematic        'Xe O3'
_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                   6.163
_cell_length_b                   8.115
_cell_length_c                   5.234
_cell_volume                     261.767
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Templeton_JACSAT_1963_1463.cif
_cod_data_source_block           O3Xe1
_cod_original_cell_volume        261.7667
_cod_original_formula_sum        'O3 Xe1'
_cod_database_code               4124690
Nd-In, Sm-In and Tb-In phase diagrams
Shakarov, Kh.O.; Semyannikov, A.A.; Yatsenko, S.P.; Kuvandykov, O.K.; Russian Metallurgy 1981 (1981) 206–210; doi:

data_1539321
_publ_section_title
;
 Nd-In, Sm-In and Tb-In phase diagrams
;
_journal_name_full               'Russian Metallurgy'
_journal_page_first              206
_journal_page_last               210
_journal_volume                  1981
_journal_year                    1981
_chemical_formula_sum            'In3 Sm'
_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                   4.62
_cell_length_b                   4.62
_cell_length_c                   4.62
_cell_volume                     98.611
_citation_journal_id_ASTM        RMLYAQ
_cod_data_source_file            Shakarov_RMLYAQ_1981_285.cif
_cod_data_source_block           In3Sm1
_cod_original_cell_volume        98.61112
_cod_original_formula_sum        'In3 Sm1'
_cod_database_code               1539321
Jahn-Teller band transition in La3 S4 and La3 Se4
Westerholt, K.; Bach, H.; Methfessel, S.; Solid State Communications 36 (1980) 431–434; doi:

data_1539322
_publ_section_title
;
 Jahn-Teller band transition in La3 S4 and La3 Se4
;
_journal_name_full               'Solid State Communications'
_journal_page_first              431
_journal_page_last               434
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'La3 S4'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7
_cell_length_b                   8.7
_cell_length_c                   8.7
_cell_volume                     658.503
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Westerholt_SSCOA4_1980_445.cif
_cod_data_source_block           La3S4
_cod_original_cell_volume        658.5029
_cod_database_code               1539322
New phase of niobium nitride
Terao, N.; Journal of the Less-Common Metals 23 (1971) 159–169; doi:

data_1539323
_publ_section_title
;
 New phase of niobium nitride
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  23
_journal_year                    1971
_chemical_formula_sum            'N5 Nb4'
_chemical_name_systematic        'Nb4 N5'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.873
_cell_length_b                   6.873
_cell_length_c                   4.298
_cell_volume                     203.029
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Terao_JCOMAH_1971_1192.cif
_cod_data_source_block           N5Nb4
_cod_original_cell_volume        203.0295
_cod_database_code               1539323
Crystal structure of solid solutions on the Zn Se - Cd Se system
Shalimova, K.V.; Botnev, A.F.; Dmitriev, V.A.; Kognovitskaya, N.Z.; Starostin, V.V.; Soviet Physics, Crystallography (= Kristallografiya) 14 (1969) 531–534; doi:

data_1539324
_publ_section_title
;
 Crystal structure of solid solutions on the Zn Se - Cd Se system
;
_journal_name_full
'Soviet Physics, Crystallography (= Kristallografiya)'
_journal_page_first              531
_journal_page_last               534
_journal_volume                  14
_journal_year                    1969
_chemical_formula_sum            'Se Zn'
_chemical_name_systematic        'Zn Se'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.65
_cell_length_b                   5.65
_cell_length_c                   5.65
_cell_volume                     180.362
_citation_journal_id_ASTM        SPHCA6
_cod_data_source_file            Shalimova_SPHCA6_1969_1979.cif
_cod_data_source_block           Se1Zn1
_cod_original_cell_volume        180.3621
_cod_original_formula_sum        'Se1 Zn1'
_cod_database_code               1539324
Refinement of the structures of Ge S, Ge Se, Sn S, and Sn Se
Wiedemeier, H.; von Schnering, H.G.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979) 148 (1978) 295–303; doi:

data_8104281
_publ_section_title
;
 Refinement of the structures of Ge S, Ge Se, Sn S, and Sn Se
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (145,1977-148,1979)
;
_journal_page_first              295
_journal_page_last               303
_journal_volume                  148
_journal_year                    1978
_chemical_formula_sum            'S Sn'
_chemical_name_systematic        'Sn S'
_space_group_IT_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                   11.2
_cell_length_b                   3.987
_cell_length_c                   4.334
_cell_volume                     193.532
_citation_journal_id_ASTM        ZKKKAJ
_cod_data_source_file            Wiedemeier_ZKKKAJ_1978_1760.cif
_cod_data_source_block           S1Sn1
_cod_original_cell_volume        193.5322
_cod_original_formula_sum        'S1 Sn1'
_cod_database_code               8104281
New Phase of Niobium Nitride
Terao, N.; Journal of the Less-Common Metals 23 (1971) 159–169; doi:

data_1539325
_publ_section_title
;
 New Phase of Niobium Nitride
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  23
_journal_year                    1971
_chemical_formula_sum            'N6 Nb5'
_chemical_name_systematic        'Nb5 N6'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.193
_cell_length_b                   5.193
_cell_length_c                   10.38
_cell_volume                     242.418
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Terao_JCOMAH_1971_1193.cif
_cod_data_source_block           N6Nb5
_cod_original_cell_volume        242.4179
_cod_database_code               1539325