LMucko/crystallography-open-database huggingface dataset:
K3 Ti8 O17 a new alkali titanate bronze
Watts, J.A.; Journal of Solid State Chemistry 1 (1970) 319–325; doi:

data_1528976
_publ_section_title
;
 K3 Ti8 O17 a new alkali titanate bronze
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              319
_journal_page_last               325
_journal_volume                  1
_journal_year                    1970
_chemical_formula_sum            'K3 O17 Ti8'
_chemical_name_systematic        'K3 Ti8 O17'
_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                 95
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.68
_cell_length_b                   3.809
_cell_length_c                   12.06
_cell_volume                     717.544
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Watts_JSSCBI_1970_1924.cif
_cod_data_source_block           K3O17Ti8
_cod_original_cell_volume        717.5441
_cod_database_code               1528976
Studies on the electronic structure of Ag2 Ni O2, an intercalated delafossite containing subvalent silver
Wedig, U.; Nuss, J.; Adler, P.; Modrow, H.; Jansen, M.; Solid State Sciences 8 (2006) 753–763; doi:

data_1528977
_publ_section_title
;
 Studies on the electronic structure of Ag2 Ni O2, an intercalated
 delafossite containing subvalent silver
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              753
_journal_page_last               763
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'Ag2 Ni O2'
_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                   2.9149
_cell_length_b                   2.9149
_cell_length_c                   24.092
_cell_volume                     177.276
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Wedig_SSSCFJ_2006_1076.cif
_cod_data_source_block           Ag2Ni1O2
_cod_original_cell_volume        177.2764
_cod_original_formula_sum        'Ag2 Ni1 O2'
_cod_database_code               1528977
First crystal structure studies of Ca Al H5
Weidenthaler, C.; Frankcombe, T.J.; Felderhoff, M.; Inorganic Chemistry 45 (2006) 3849–3851; doi:

data_4343942
_publ_section_title
;
 First crystal structure studies of Ca Al H5
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3849
_journal_page_last               3851
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'Al Ca H5'
_chemical_name_systematic        'Ca Al H5'
_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                 93.78
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.3797
_cell_length_b                   6.9293
_cell_length_c                   9.8138
_cell_volume                     568.603
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Weidenthaler_INOCAJ_2006_885.cif
_cod_data_source_block           H5Al1Ca1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H5 Al1 Ca1'
_cod_database_code               4343942
Potassium dicyano dithionitrito-S(amido)nickelate(II)
Weiss, J.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1997–1999; doi:

data_2106613
_publ_section_title
;
 Potassium dicyano dithionitrito-S(amido)nickelate(II)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1997
_journal_page_last               1999
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'C2 H K N4 Ni S2'
_chemical_name_systematic        'K (Ni (C N)2 H N2 S2)'
_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                 95.64
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.203
_cell_length_b                   18.286
_cell_length_c                   10.44
_cell_volume                     798.493
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Weiss_ACBCAR_1978_1349.cif
_cod_data_source_block           C2H1K1N4Ni1S2
_cod_original_cell_volume        798.4929
_cod_original_formula_sum        'C2 H1 K1 N4 Ni1 S2'
_cod_database_code               2106613
Sr14 [Al4]2 [Ge]3: a Zintl phase with isolated [Ge4](4-)- and [Al4](8-) anions
Wendorff, M.; Roehr, C.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 62 (2007) 1227–1234; doi:

data_7221522
_publ_section_title
;
 Sr14 [Al4]2 [Ge]3: a Zintl phase with isolated [Ge4](4-)- and [Al4](8-)
 anions
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1227
_journal_page_last               1234
_journal_volume                  62
_journal_year                    2007
_chemical_formula_sum            'Al8 Ge3 Sr14'
_chemical_name_systematic        'Sr14 (Al4)2 Ge3'
_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            6
_cell_length_a                   11.9658
_cell_length_b                   11.9658
_cell_length_c                   40.1033
_cell_volume                     4972.722
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Wendorff_ZNBSEN_2007_1359.cif
_cod_data_source_block           Al8Ge3Sr14
_cod_original_cell_volume        4972.723
_cod_database_code               7221522
The crystal structure of Cs3 Cr2 Cl9
Wessel, G.J.; Ijdo, D.J.W.; Acta Crystallographica (1,1948-23,1967) 10 (1957) 466–468; doi:

data_2310695
_publ_section_title
;
 The crystal structure of Cs3 Cr2 Cl9
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              466
_journal_page_last               468
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'Cl9 Cr2 Cs3'
_chemical_name_systematic        'Cs3 (Cr2 Cl9)'
_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                   7.22
_cell_length_b                   7.22
_cell_length_c                   17.93
_cell_volume                     809.441
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Wessel_ACCRA9_1957_243.cif
_cod_data_source_block           Cl9Cr2Cs3
_cod_original_cell_volume        809.4412
_cod_database_code               2310695
Structural disorder, octahedral coordination and two-dimensional ferromagnetism im anhydrous alums
West, D.V.; Zandbergen, H.W.; Huang, Q.; McQueen, T.M.; Cava, R.J.; Journal of Solid State Chemistry 181 (2008) 2768–2775; doi:

data_1528978
_publ_section_title
;
 Structural disorder, octahedral coordination and two-dimensional
 ferromagnetism im anhydrous alums
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2768
_journal_page_last               2775
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Al K O8 S2'
_chemical_name_systematic        'K Al (S O4)2'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.7206
_cell_length_b                   4.7206
_cell_length_c                   7.9835
_cell_volume                     154.070
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            West_JSSCBI_2008_1611.cif
_cod_data_source_block           Al1K1O8S2
_cod_original_cell_volume        154.0701
_cod_original_formula_sum        'Al1 K1 O8 S2'
_cod_database_code               1528978
Structural disorder, octahedral coordination and two-dimensional ferromagnetism im anhydrous alums
West, D.V.; Zandbergen, H.W.; Huang, Q.; Cava, R.J.; McQueen, T.M.; Journal of Solid State Chemistry 181 (2008) 2768–2775; doi:

data_1528979
_publ_section_title
;
 Structural disorder, octahedral coordination and two-dimensional
 ferromagnetism im anhydrous alums
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2768
_journal_page_last               2775
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Cr K O8 S2'
_chemical_name_systematic        'K Cr (S O4)2'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.7561
_cell_length_b                   4.7561
_cell_length_c                   8.0483
_cell_volume                     157.666
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            West_JSSCBI_2008_1612.cif
_cod_data_source_block           Cr1K1O8S2
_cod_original_cell_volume        157.6655
_cod_original_formula_sum        'Cr1 K1 O8 S2'
_cod_database_code               1528979
Structural disorder, octahedral coordination and two-dimensional ferromagnetism im anhydrous alums
West, D.V.; Zandbergen, H.W.; Huang, Q.; McQueen, T.M.; Cava, R.J.; Journal of Solid State Chemistry 181 (2008) 2768–2775; doi:

data_1528980
_publ_section_title
;
 Structural disorder, octahedral coordination and two-dimensional
 ferromagnetism im anhydrous alums
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2768
_journal_page_last               2775
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Cr O8 Rb S2'
_chemical_name_systematic        'Rb Cr (S O4)2'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.785
_cell_length_b                   4.785
_cell_length_c                   8.3685
_cell_volume                     165.937
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            West_JSSCBI_2008_1615.cif
_cod_data_source_block           Cr1O8Rb1S2
_cod_original_cell_volume        165.9366
_cod_original_formula_sum        'Cr1 O8 Rb1 S2'
_cod_database_code               1528980
The A(2+) Mn5 (S O4)6 family of triangular lattice, ferrimagnetic sulfates
West, D.V.; Ke, X.; McQueen, T.M.; Zandbergen, H.W.; Posen, I.D.; Huang, Q.; Cava, R.J.; Williams, A.J.; Schiffer, P.; Journal of Solid State Chemistry 182 (2009) 1343–1350; doi:

data_1528981
_publ_section_title
;
 The A(2+) Mn5 (S O4)6 family of triangular lattice, ferrimagnetic
 sulfates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1343
_journal_page_last               1350
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Mn5 O24 Pb S6'
_chemical_name_systematic        'Pb Mn5 (S O4)6'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.4847
_cell_length_b                   14.4847
_cell_length_c                   7.5248
_cell_volume                     1367.240
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            West_JSSCBI_2009_1764.cif
_cod_data_source_block           Mn5O24Pb1S6
_cod_original_cell_volume        1367.24
_cod_original_formula_sum        'Mn5 O24 Pb1 S6'
_cod_database_code               1528981
The A(2+) Mn5 (S O4)6 family of triangular lattice, ferrimagnetic sulfates
West, D.V.; McQueen, T.M.; Williams, A.J.; Posen, I.D.; Cava, R.J.; Huang, Q.; Ke, X.; Schiffer, P.; Zandbergen, H.W.; Journal of Solid State Chemistry 182 (2009) 1343–1350; doi:

data_1528982
_publ_section_title
;
 The A(2+) Mn5 (S O4)6 family of triangular lattice, ferrimagnetic
 sulfates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1343
_journal_page_last               1350
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Mn5 O24 S6 Sr'
_chemical_name_systematic        'Sr Mn5 (S O4)6'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.5938
_cell_length_b                   14.5938
_cell_length_c                   7.5185
_cell_volume                     1386.751
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            West_JSSCBI_2009_1765.cif
_cod_data_source_block           Mn5O24S6Sr1
_cod_original_formula_sum        'Mn5 O24 S6 Sr1'
_cod_database_code               1528982
The crystal structure of the tetragonal modification of Zn P2
White, J.G.; Acta Crystallographica (1,1948-23,1967) 18 (1965) 217–220; doi:

data_2310696
_publ_section_title
;
 The crystal structure of the tetragonal modification of Zn P2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              217
_journal_page_last               220
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'P2 Zn'
_chemical_name_systematic        'Zn P2'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.08
_cell_length_b                   5.08
_cell_length_c                   18.59
_cell_volume                     479.741
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            White_ACCRA9_1965_1859.cif
_cod_data_source_block           P2Zn1
_cod_original_formula_sum        'P2 Zn1'
_cod_database_code               2310696
Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
Whittle, K.R.; Ashbrook, S.E.; Lumpkin, G.R.; Journal of Solid State Chemistry 179 (2006) 512–521; doi:

data_1528983
_publ_section_title
;
 Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Cs O6 W1.5 Zr0.5'
_chemical_name_systematic        'Cs Zr0.5 W1.5 O6'
_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            8
_cell_length_a                   10.38175
_cell_length_b                   10.38175
_cell_length_c                   10.38175
_cell_volume                     1118.953
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Whittle_JSSCBI_2006_921.cif
_cod_data_source_block           Cs1O6W1.5Zr0.5
_cod_original_formula_sum        'Cs1 O6 W1.5 Zr0.5'
_cod_database_code               1528983
Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
Whittle, K.R.; Ashbrook, S.E.; Lumpkin, G.R.; Journal of Solid State Chemistry 179 (2006) 512–521; doi:

data_1528984
_publ_section_title
;
 Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'O2 Zr'
_chemical_name_systematic        'Zr O2'
_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                 99.249
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1462
_cell_length_b                   5.2082
_cell_length_c                   5.3155
_cell_volume                     140.616
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Whittle_JSSCBI_2006_922.cif
_cod_data_source_block           O2Zr1
_cod_original_cell_volume        140.6161
_cod_original_formula_sum        'O2 Zr1'
_cod_database_code               1528984
Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.; Journal of Solid State Chemistry 179 (2006) 512–521; doi:

data_1528985
_publ_section_title
;
 Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Cs O6 Ti0.25 W1.5 Zr0.25'
_chemical_name_systematic        'Cs Ti0.25 Zr0.25 W1.5 O6'
_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            8
_cell_length_a                   10.3403
_cell_length_b                   10.3403
_cell_length_c                   10.3403
_cell_volume                     1105.604
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Whittle_JSSCBI_2006_923.cif
_cod_data_source_block           Cs1O6Ti0.25W1.5Zr0.25
_cod_original_cell_volume        1105.603
_cod_original_formula_sum        'Cs1 O6 Ti0.25 W1.5 Zr0.25'
_cod_database_code               1528985
Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.; Journal of Solid State Chemistry 179 (2006) 512–521; doi:

data_1528986
_publ_section_title
;
 Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Cs O6 Ti0.5 W1.5'
_chemical_name_systematic        'Cs Ti0.5 W1.5 O6'
_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            8
_cell_length_a                   10.2763
_cell_length_b                   10.2763
_cell_length_c                   10.2763
_cell_volume                     1085.201
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Whittle_JSSCBI_2006_924.cif
_cod_data_source_block           Cs1O6Ti0.5W1.5
_cod_original_cell_volume        1085.202
_cod_original_formula_sum        'Cs1 O6 Ti0.5 W1.5'
_cod_database_code               1528986
Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.; Journal of Solid State Chemistry 179 (2006) 512–521; doi:

data_1528987
_publ_section_title
;
 Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Cs Hf0.4 O6 W1.6'
_chemical_name_systematic        'Cs Hf0.4 W1.6 O6'
_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            8
_cell_length_a                   10.3671
_cell_length_b                   10.3671
_cell_length_c                   10.3671
_cell_volume                     1114.222
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Whittle_JSSCBI_2006_925.cif
_cod_data_source_block           Cs1Hf0.4O6W1.6
_cod_original_formula_sum        'Cs1 Hf0.4 O6 W1.6'
_cod_database_code               1528987
Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
Whittle, K.R.; Lumpkin, G.R.; Ashbrook, S.E.; Journal of Solid State Chemistry 179 (2006) 512–521; doi:

data_1528988
_publ_section_title
;
 Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Hf O2'
_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                 99.352
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.118
_cell_length_b                   5.1857
_cell_length_c                   5.2841
_cell_volume                     138.378
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Whittle_JSSCBI_2006_926.cif
_cod_data_source_block           Hf1O2
_cod_original_cell_volume        138.3782
_cod_original_formula_sum        'Hf1 O2'
_cod_database_code               1528988