LMucko/crystallography-open-database huggingface dataset:
Tantalum-niobium mixing in Ta3-x Nbx Te I7 (0 <= x <= 3)
Smith, M.D.; Miller, G.J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 94–102; doi:

data_1526651
_publ_section_title
;
 Tantalum-niobium mixing in Ta3-x Nbx Te I7 (0 <= x <= 3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              94
_journal_page_last               102
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'I7 Nb1.03 Ta1.97 Te'
_chemical_name_systematic        '(Ta1.97 Nb1.03) Te I7'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.599
_cell_length_b                   7.599
_cell_length_c                   13.892
_cell_volume                     694.718
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Smith_ZAACAB_2000_805.cif
_cod_data_source_block           I7Nb1.03Ta1.97Te1
_cod_original_cell_volume        694.7176
_cod_original_formula_sum        'I7 Nb1.03 Ta1.97 Te1'
_cod_database_code               1526651
Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure
Kitano, A.; Yamanaka, S.; Moriguchi, K.; Munetoh, S.; Yonemura, M.; Fukuoka, H.; Shintani, A.; Takata, M.; Nishibori, E.; Sakata, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64 (2001) 0452061–0452069; doi:

data_1526652
_publ_section_title
;
 Structural properties and thermodynamic stability of Ba-doped silicon
 type-I clathrates synthesized under high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              0452061
_journal_page_last               0452069
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            'Ba Si'
_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                   4.951
_cell_length_b                   11.787
_cell_length_c                   4.019
_cell_volume                     234.539
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Kitano_PRBMDO_2001_1898.cif
_cod_data_source_block           Ba1Si1
_cod_original_cell_volume        234.5385
_cod_original_formula_sum        'Ba1 Si1'
_cod_database_code               1526652
Revised crystal structure of dehydrated Na-type A-zeolite
Smith, J.V.; Dowell, L.G.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 126 (1968) 135–142; doi:

data_8103633
_publ_section_title
;
 Revised crystal structure of dehydrated Na-type A-zeolite
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              135
_journal_page_last               142
_journal_volume                  126
_journal_year                    1968
_chemical_formula_sum            'Al Na O4 Si'
_chemical_name_systematic        'Na (Al Si O4)'
_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            12
_cell_length_a                   12.28
_cell_length_b                   12.28
_cell_length_c                   12.28
_cell_volume                     1851.804
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Smith_ZEKGAX_1968_1236.cif
_cod_data_source_block           Al1Na1O4Si1
_cod_original_formula_sum        'Al1 Na1 O4 Si1'
_cod_database_code               8103633
Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure
Kitano, A.; Moriguchi, K.; Yonemura, M.; Sakata, M.; Munetoh, S.; Fukuoka, H.; Shintani, A.; Nishibori, E.; Yamanaka, S.; Takata, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64 (2001) 0452061–0452069; doi:

data_1526653
_publ_section_title
;
 Structural properties and thermodynamic stability of Ba-doped silicon
 type-I clathrates synthesized under high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              0452061
_journal_page_last               0452069
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            'Ba Si2'
_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            8
_cell_length_a                   8.71
_cell_length_b                   6.585
_cell_length_c                   11.24
_cell_volume                     644.674
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Kitano_PRBMDO_2001_1899.cif
_cod_data_source_block           Ba1Si2
_cod_original_cell_volume        644.6741
_cod_original_formula_sum        'Ba1 Si2'
_cod_database_code               1526653
Structure of selenium and tellurium clusters in cavities of NaX zeolite
Smolin, Yu.I.; Shepelev, Yu.F.; Lapshin, A.E.; Vasil'eva, E.A.; Kristallografiya 45 (2000) 27–31; doi:

data_1526654
_publ_section_title
;
 Structure of selenium and tellurium clusters in cavities of NaX zeolite
;
_journal_name_full               Kristallografiya
_journal_page_first              27
_journal_page_last               31
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'Al96 Na7.4 O384 Se46.1 Si96'
_chemical_name_systematic        'Na7.4 Se46.1 (Al96 Si96 O384)'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   25.06
_cell_length_b                   25.06
_cell_length_c                   25.06
_cell_volume                     15737.770
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Smolin_KRISAJ_2000_164.cif
_cod_data_source_block           Al96Na7.4O384Se46.1Si96
_cod_original_cell_volume        15737.77
_cod_database_code               1526654
Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure
Kitano, A.; Shintani, A.; Yonemura, M.; Moriguchi, K.; Yamanaka, S.; Fukuoka, H.; Munetoh, S.; Takata, M.; Nishibori, E.; Sakata, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64 (2001) 0452061–0452069; doi:

data_1526655
_publ_section_title
;
 Structural properties and thermodynamic stability of Ba-doped silicon
 type-I clathrates synthesized under high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              0452061
_journal_page_last               0452069
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            Si
_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                   5.381
_cell_length_b                   5.381
_cell_length_c                   5.381
_cell_volume                     155.808
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Kitano_PRBMDO_2001_1900.cif
_cod_data_source_block           Si1
_cod_original_cell_volume        155.8077
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        Si1
_cod_database_code               1526655
Structure of selenium and tellurium clusters in cavities of NaX zeolite
Smolin, Yu.I.; Shepelev, Yu.F.; Lapshin, A.E.; Vasil'eva, E.A.; Kristallografiya 45 (2000) 27–31; doi:

data_1526656
_publ_section_title
;
 Structure of selenium and tellurium clusters in cavities of NaX zeolite
;
_journal_name_full               Kristallografiya
_journal_page_first              27
_journal_page_last               31
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'Al96 Na36 O384 Si96 Te38.1'
_chemical_name_systematic        'Na36 Te38.1 (Al96 Si96 O384)'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   25.14
_cell_length_b                   25.14
_cell_length_c                   25.14
_cell_volume                     15888.973
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Smolin_KRISAJ_2000_165.cif
_cod_data_source_block           Al96Na36O384Si96Te38.1
_cod_original_cell_volume        15888.97
_cod_database_code               1526656
Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure
Kitano, A.; Moriguchi, K.; Yonemura, M.; Munetoh, S.; Shintani, A.; Nishibori, E.; Fukuoka, H.; Sakata, M.; Yamanaka, S.; Takata, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64 (2001) 0452061–0452069; doi:

data_1526657
_publ_section_title
;
 Structural properties and thermodynamic stability of Ba-doped silicon
 type-I clathrates synthesized under high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              0452061
_journal_page_last               0452069
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            'Ba2 Si46'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.106
_cell_length_b                   10.106
_cell_length_c                   10.106
_cell_volume                     1032.138
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Kitano_PRBMDO_2001_1901.cif
_cod_data_source_block           Ba2Si46
_cod_database_code               1526657
Growth of Er2 (S O4)3 * 8(H2 O) crystals and study of their structure and properties
Soboleva, L.V.; Pietraszko, A.; Kirpichnikova, L.F.; Shuvalov, L.A.; Kristallografiya 45 (2000) 791–792; doi:

data_1526658
_publ_section_title
;
 Growth of Er2 (S O4)3 * 8(H2 O) crystals and study of their structure and
 properties
;
_journal_name_full               Kristallografiya
_journal_page_first              791
_journal_page_last               792
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'Er2 H16 O20 S3'
_chemical_name_systematic        'Er2 (S O4)3 (H2 O)8'
_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                 101.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.438
_cell_length_b                   6.666
_cell_length_c                   18.203
_cell_volume                     1595.540
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Soboleva_KRISAJ_2000_182.cif
_cod_data_source_block           H16Er2O20S3
_cod_original_cell_volume        1595.54
_cod_original_formula_sum        'H16 Er2 O20 S3'
_cod_database_code               1526658
Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure
Kitano, A.; Moriguchi, K.; Nishibori, E.; Yonemura, M.; Munetoh, S.; Fukuoka, H.; Yamanaka, S.; Shintani, A.; Takata, M.; Sakata, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64 (2001) 0452061–0452069; doi:

data_1526659
_publ_section_title
;
 Structural properties and thermodynamic stability of Ba-doped silicon
 type-I clathrates synthesized under high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              0452061
_journal_page_last               0452069
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            'Ba6 Si46'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.118
_cell_length_b                   10.118
_cell_length_c                   10.118
_cell_volume                     1035.819
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Kitano_PRBMDO_2001_1902.cif
_cod_data_source_block           Ba6Si46
_cod_database_code               1526659
The structure of potassium aluminium oxide K Al O2
Sokolowski, J.; Kotarba, A.; Materials Science Forum 321 (2000) 954–959; doi:

data_1526660
_publ_section_title
;
 The structure of potassium aluminium oxide K Al O2
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              954
_journal_page_last               959
_journal_volume                  321
_journal_year                    2000
_chemical_formula_sum            'Al K O2'
_chemical_name_systematic        'K Al O2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   5.4482
_cell_length_b                   10.916
_cell_length_c                   15.445
_cell_volume                     918.554
_citation_journal_id_ASTM        MSFOEP
_cod_data_source_file            Sokolowski_MSFOEP_2000_356.cif
_cod_data_source_block           Al1K1O2
_cod_original_cell_volume        918.5536
_cod_original_formula_sum        'Al1 K1 O2'
_cod_database_code               1526660
Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure
Kitano, A.; Moriguchi, K.; Yamanaka, S.; Yonemura, M.; Fukuoka, H.; Munetoh, S.; Shintani, A.; Sakata, M.; Takata, M.; Nishibori, E.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64 (2001) 0452061–0452069; doi:

data_1526661
_publ_section_title
;
 Structural properties and thermodynamic stability of Ba-doped silicon
 type-I clathrates synthesized under high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              0452061
_journal_page_last               0452069
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            'Ba7.76 Si45.5'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.3279
_cell_length_b                   10.3279
_cell_length_c                   10.3279
_cell_volume                     1101.631
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Kitano_PRBMDO_2001_1903.cif
_cod_data_source_block           Ba7.76Si45.5
_cod_database_code               1526661
Crystal chemistry of octahedral clusters of rhenium chalcohalides Re6 X4 Y10 (X = S, Se, Te; Y = Cl, Br)
Solodovnikov, S.F.; Yarovoi, S.S.; Mironov, Yu.V.; Virovets, A.V.; Fedorov, V.E.; Khim. Interesakh. Ustoich. Razvit. 8 (2000) 285–290; doi:

data_1526662
_publ_section_title
;
 Crystal chemistry of octahedral clusters of rhenium chalcohalides Re6 X4
 Y10 (X = S, Se, Te; Y = Cl, Br)
;
_journal_name_full               'Khim. Interesakh. Ustoich. Razvit.'
_journal_page_first              285
_journal_page_last               290
_journal_volume                  8
_journal_year                    2000
_chemical_formula_sum            'Br10 Re6 Se4'
_chemical_name_systematic        '(Re6 Se4 Br4) Br6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.36
_cell_angle_beta                 84.1
_cell_angle_gamma                82.33
_cell_formula_units_Z            2
_cell_length_a                   9.23
_cell_length_b                   9.31
_cell_length_c                   12.975
_cell_volume                     1093.241
_citation_journal_id_ASTM        KIURFI
_cod_data_source_file            Solodovnikov_KIURFI_2000_154.cif
_cod_data_source_block           Br10Re6Se4
_cod_database_code               1526662
Absolute configuration and domain structure of (Al P O4)-5 studied by single-crystal X-ray diffraction
Klap, G.J.; Graafsma, H.; van Koningsveld, H.; Schreurs, A.M.M.; Microporous and Mesoporous Materials 38 (2000) 403–412; doi:

data_1526663
_publ_section_title
;
 Absolute configuration and domain structure of (Al P O4)-5 studied by
 single-crystal X-ray diffraction
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              403
_journal_page_last               412
_journal_volume                  38
_journal_year                    2000
_chemical_formula_sum            'Al O4 P'
_chemical_name_systematic        'Al (P O4)'
_space_group_IT_number           184
_symmetry_space_group_name_Hall  'P 6 -2c'
_symmetry_space_group_name_H-M   'P 6 c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   13.718
_cell_length_b                   13.718
_cell_length_c                   8.4526
_cell_volume                     1377.535
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Klap_MIMMFJ_2000_240.cif
_cod_data_source_block           Al1O4P1
_cod_original_formula_sum        'Al1 O4 P1'
_cod_database_code               1526663
Single crystal structure of pure inorganic nanocomposite (Ga O4 Al12 (O H)24 (H2 O)12) (Al (O H)6 Mo6 O18)2 (O H) * 30(H2 O)
Son, J.-H.; Kwon, Y.-U.; Bulletin of the Korean Chemical Society 22 (2001) 1224–1230; doi:

data_1526664
_publ_section_title
;
 Single crystal structure of pure inorganic nanocomposite (Ga O4 Al12 (O
 H)24 (H2 O)12) (Al (O H)6 Mo6 O18)2 (O H) * 30(H2 O)
;
_journal_name_full               'Bulletin of the Korean Chemical Society'
_journal_page_first              1224
_journal_page_last               1230
_journal_volume                  22
_journal_year                    2001
_chemical_formula_sum            'Al14 Ga H121.33 Mo12 O119.165'
_chemical_name_systematic
;
(Ga O4 Al12 (O H)24 (H2 O)12) (Al (O H)6 Mo6 O18)2 (O H) (H2 O)30.165
;
_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                 102.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.418
_cell_length_b                   15.647
_cell_length_c                   23.96
_cell_volume                     10021.634
_citation_journal_id_ASTM        BKCSDE
_cod_data_source_file            Son_BKCSDE_2001_1789.cif
_cod_data_source_block           H121.33Al14Ga1Mo12O119.165
_cod_original_cell_volume        10021.63
_cod_original_formula_sum        'H121.33 Al14 Ga1 Mo12 O119.165'
_cod_database_code               1526664
Ti5 Si1.3 Sb1.7 - the first titanium silicide antimonide, forming a crystal structure not found in either binary system
Kleinke, H.; Canadian Journal of Chemistry 79 (2001) 1338–1343; doi:

data_1526665
_publ_section_title
;
 Ti5 Si1.3 Sb1.7 - the first titanium silicide antimonide, forming a
 crystal structure not found in either binary system
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              1338
_journal_page_last               1343
_journal_volume                  79
_journal_year                    2001
_chemical_formula_sum            'Sb1.68 Si1.32 Ti5'
_chemical_name_systematic        'Ti5 Si1.32 Sb1.68'
_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                   10.346
_cell_length_b                   10.346
_cell_length_c                   5.152
_cell_volume                     551.469
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Kleinke_CJCHAG_2001_1451.cif
_cod_data_source_block           Sb1.68Si1.32Ti5
_cod_original_cell_volume        551.4686
_cod_database_code               1526665
Preparation, crystal structure and thermal decomposition process of (Y (NTO)2 NO3 (H2 O)5) * 2(H2 O)
Song, J.; Kang, B.; Ning, B.; Hu, R.; Thermochimica Acta 352 (2000) 111–115; doi:

data_1526666
_publ_section_title
;
 Preparation, crystal structure and thermal decomposition process of (Y
 (NTO)2 NO3 (H2 O)5) * 2(H2 O)
;
_journal_name_full               'Thermochimica Acta'
_journal_page_first              111
_journal_page_last               115
_journal_volume                  352
_journal_year                    2000
_chemical_formula_sum            'C4 H16 N9 O16 Y'
_chemical_name_systematic        '(Y (N4 C2 H O3)2 (N O3) (H2 O)5) (H2 O)2'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.98
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.773
_cell_length_b                   20.866
_cell_length_c                   6.551
_cell_volume                     902.167
_citation_journal_id_ASTM        THACAS
_cod_data_source_file            Song_THACAS_2000_664.cif
_cod_data_source_block           C4H16N9O16Y1
_cod_original_cell_volume        902.1666
_cod_original_formula_sum        'C4 H16 N9 O16 Y1'
_cod_database_code               1526666