LMucko/crystallography-open-database huggingface dataset:
Structure and defects of lanthanum pentatantalate
Gavrikov, S.I.; Putilin, S.N.; Zakharov, N.D.; Kristallografiya 38 (1993) 206–216; doi:

data_1534450
_publ_section_title
;
 Structure and defects of lanthanum pentatantalate
;
_journal_name_full               Kristallografiya
_journal_page_first              206
_journal_page_last               216
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'La4.8 O62 Ta22'
_chemical_name_systematic        'La4.8 Ta22 O62'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   16.941
_cell_length_b                   17.567
_cell_length_c                   3.848
_cell_volume                     1145.175
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Gavrikov_KRISAJ_1993_914.cif
_cod_data_source_block           La4.8O62Ta22
_cod_database_code               1534450
Mixed-valence thallium(I,III) bromides. The crystal structure of alpha-Tl2 Br3
Ackermann, R.; Hirschle, C.; Rotter, H.W.; Thiele, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 2675–2682; doi:

data_1534451
_publ_section_title
;
 Mixed-valence thallium(I,III) bromides. The crystal structure of
 alpha-Tl2 Br3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2675
_journal_page_last               2682
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Br6 Tl4'
_chemical_name_systematic        'Tl3 (Tl Br6)'
_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                 108.63
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   26.763
_cell_length_b                   15.311
_cell_length_c                   27.375
_cell_volume                     10629.629
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ackermann_ZAACAB_2002_817.cif
_cod_data_source_block           Br6Tl4
_cod_original_cell_volume        10629.63
_cod_database_code               1534451
Crystal structure of (VO(OC(NH2)2)5)Br2*OC(NH2)2* HBr H2O
Sabirov, V.H.; Khodzhaev, O.F.; Litvinov, I.A.; Musaev, Z.M.; Usmankhodzhaeva, Ya.; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 17 (1991) 325–329; doi:

data_1534452
_publ_section_title
;
 Crystal structure of (VO(OC(NH2)2)5)Br2*OC(NH2)2* HBr H2O
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              325
_journal_page_last               329
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'C6 H27 Br3 N12 O8 V'
_chemical_name_systematic
'(V O (O C (N H2)2)5) Br2 (O C (N H2)2) (H Br) H2 O'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.07
_cell_angle_beta                 78.95
_cell_angle_gamma                87.21
_cell_formula_units_Z            2
_cell_length_a                   9.038
_cell_length_b                   9.33
_cell_length_c                   14.417
_cell_volume                     1191.724
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Sabirov_KOKHDC_1991_1110.cif
_cod_data_source_block           C6H27Br3N12O8V1
_cod_original_formula_sum        'C6 H27 Br3 N12 O8 V1'
_cod_database_code               1534452
Cs Cu3 Dy2 S5 und Cs Cu3 Er2 S5 : zwei isotype quaternaere Sulfide der Lanthanoide mit Kanalstrukturen
Lauxmann, P.; Schleid, T.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 56 (2001) 1149–1154; doi:

data_7222464
_publ_section_title
;
 Cs Cu3 Dy2 S5 und Cs Cu3 Er2 S5 : zwei isotype quaternaere Sulfide der
 Lanthanoide mit Kanalstrukturen
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1149
_journal_page_last               1154
_journal_volume                  56
_journal_year                    2001
_chemical_formula_sum            'Cs Cu3 Er2 S5'
_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                   3.9482
_cell_length_b                   14.109
_cell_length_c                   16.6717
_cell_volume                     928.700
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Lauxmann_ZNBSEN_2001_365.cif
_cod_data_source_block           Cs1Cu3Er2S5
_cod_original_cell_volume        928.6996
_cod_original_formula_sum        'Cs1 Cu3 Er2 S5'
_cod_database_code               7222464
Structure of a single crystal of K0.73 Li0.27 Ta O3 and EPR of Cu2+
Geifman, I.N.; Kozlova, I.V.; Konovalov, V.I.; Son'ko, T.V.; Furmanova, N.G.; Kristallografiya 35 (1990) 732–738; doi:

data_1534453
_publ_section_title
;
 Structure of a single crystal of K0.73 Li0.27 Ta O3 and EPR of Cu2+
;
_journal_name_full               Kristallografiya
_journal_page_first              732
_journal_page_last               738
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'K0.73 Li0.27 O3 Ta'
_chemical_name_systematic        'K0.73 Li0.27 Ta O3'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   12.595
_cell_length_b                   12.595
_cell_length_c                   3.936
_cell_volume                     624.384
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Geifman_KRISAJ_1990_1000.cif
_cod_data_source_block           K0.73Li0.27O3Ta1
_cod_original_cell_volume        624.3835
_cod_original_formula_sum        'K0.73 Li0.27 O3 Ta1'
_cod_database_code               1534453
Darstellung und Kristallstruktur von Tl Cu (Cu O2)
Adam, A.; Felser-Wenz, C.; Schuster, H.U.; Hoppe, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 605 (1991) 157–162; doi:

data_1534454
_publ_section_title
;
 Darstellung und Kristallstruktur von Tl Cu (Cu O2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              157
_journal_page_last               162
_journal_volume                  605
_journal_year                    1991
_chemical_formula_sum            'Cu2 O2 Tl'
_chemical_name_systematic        'Tl Cu (Cu O2)'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.525
_cell_length_b                   6.052
_cell_length_c                   8.964
_cell_volume                     299.732
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Adam_ZAACAB_1991_24.cif
_cod_data_source_block           Cu2O2Tl1
_cod_original_formula_sum        'Cu2 O2 Tl1'
_cod_database_code               1534454
Cs Na Se - das erste Interalkalimetallchalkogenid mit Caesium
Sabrowsky, H.; Feldbaum-Moeller, E.; Winter, V.; Vogt, P.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 48 (1993) 1737–1838; doi:

data_7222468
_publ_section_title
;
 Cs Na Se - das erste Interalkalimetallchalkogenid mit Caesium
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1737
_journal_page_last               1838
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Cs Na Se'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.99
_cell_length_b                   4.99
_cell_length_c                   8.087
_cell_volume                     201.367
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Sabrowsky_ZNBSEN_1993_1086.cif
_cod_data_source_block           Cs1Na1Se1
_cod_original_cell_volume        201.3671
_cod_original_formula_sum        'Cs1 Na1 Se1'
_cod_database_code               7222468
Etude par diffractions X et neutronique en Temps de voi de la solution solide de type fluorine excedentaire en anions Pb1-xZrxF2+2x (O < x >.18)
Laval, J.P.; Depierrefixe, C.; Frit, B.; Roult, G.; Journal of Solid State Chemistry 54 (1984) 260–276; doi:

data_1534455
_publ_section_title
;
 Etude par diffractions X et neutronique en Temps de voi de la solution
 solide de type fluorine excedentaire en anions Pb1-xZrxF2+2x (O < x >.18)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              260
_journal_page_last               276
_journal_volume                  54
_journal_year                    1984
_chemical_formula_sum            'F2.05 Pb0.975 Zr0.025'
_chemical_name_systematic        'Pb.975 Zr.025 F2.05'
_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                   5.86
_cell_length_b                   5.86
_cell_length_c                   5.86
_cell_volume                     201.230
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Laval_JSSCBI_1984_347.cif
_cod_data_source_block           F2.05Pb0.975Zr0.025
_cod_original_cell_volume        201.2301
_cod_database_code               1534455
Crystal structure and EPR V4(+) in lithium-titanium double oxiorthophosphate, alpha-Li Ti O P O4
Geifman, I.N.; Rotenfel'd, M.V.; Furmanova, N.G.; Nagornyi, P.G.; Li, D.Y.; Kristallografiya 38 (1993) 88–94; doi:

data_1534456
_publ_section_title
;
 Crystal structure and EPR V4(+) in lithium-titanium double
 oxiorthophosphate, alpha-Li Ti O P O4
;
_journal_name_full               Kristallografiya
_journal_page_first              88
_journal_page_last               94
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'Li O5 P Ti'
_chemical_name_systematic        'Li Ti O (P O4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.45
_cell_angle_beta                 91.31
_cell_angle_gamma                117.19
_cell_formula_units_Z            4
_cell_length_a                   6.904
_cell_length_b                   7.197
_cell_length_c                   7.903
_cell_volume                     349.127
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Geifman_KRISAJ_1993_1393.cif
_cod_data_source_block           Li1O5P1Ti1
_cod_original_cell_volume        349.1265
_cod_original_formula_sum        'Li1 O5 P1 Ti1'
_cod_database_code               1534456
The structure of dehydrated zeolite 3A (Si/Al =1.01) by neutron profile refinement
Adams, J.M.; Haselden, D.A.; Journal of Solid State Chemistry 47 (1983) 123–131; doi:

data_1534457
_publ_section_title
;
 The structure of dehydrated zeolite 3A (Si/Al =1.01) by neutron profile
 refinement
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              123
_journal_page_last               131
_journal_volume                  47
_journal_year                    1983
_chemical_formula_sum            'Al95.44 K60 Na35.4 O384 Si96.6'
_chemical_name_systematic        'Na35.4 K60 Al95.44 Si96.6 O384'
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.6
_cell_length_b                   24.6
_cell_length_c                   24.6
_cell_volume                     14886.936
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Adams_JSSCBI_1983_493.cif
_cod_data_source_block           Al95.44K60Na35.4O384Si96.6
_cod_original_cell_volume        14886.94
_cod_database_code               1534457
Cs Na S - das erste Interalkalimetallsulfid mit Caesium
Sabrowsky, H.; Feldbaum-Moeller, E.; Winter, V.; Vogt, P.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 48 (1993) 1737–1838; doi:

data_7222475
_publ_section_title
;
 Cs Na S - das erste Interalkalimetallsulfid mit Caesium
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1737
_journal_page_last               1838
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Cs Na S'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.821
_cell_length_b                   4.821
_cell_length_c                   7.856
_cell_volume                     182.589
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Sabrowsky_ZNBSEN_1993_1092.cif
_cod_data_source_block           Cs1Na1S1
_cod_original_cell_volume        182.5895
_cod_original_formula_sum        'Cs1 Na1 S1'
_cod_database_code               7222475
Etude par diffractions X et neutronique en Temps de voi de la solution solide de type fluorine excedentaire en anions Pb1-xZrxF2+2x (O < x >.18)
Laval, J.P.; Depierrefixe, C.; Frit, B.; Roult, G.; Journal of Solid State Chemistry 54 (1984) 260–276; doi:

data_1534458
_publ_section_title
;
 Etude par diffractions X et neutronique en Temps de voi de la solution
 solide de type fluorine excedentaire en anions Pb1-xZrxF2+2x (O < x >.18)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              260
_journal_page_last               276
_journal_volume                  54
_journal_year                    1984
_chemical_formula_sum            'F2.1 Pb0.95 Zr0.05'
_chemical_name_systematic        'Pb.95 Zr.05 F2.10'
_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                   5.86
_cell_length_b                   5.86
_cell_length_c                   5.86
_cell_volume                     201.230
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Laval_JSSCBI_1984_348.cif
_cod_data_source_block           F2.1Pb0.95Zr0.05
_cod_original_cell_volume        201.2301
_cod_database_code               1534458
Synthesis and magnetic properties of the double perovskites Ln2 Na Ru O6 (Ln = La, Pr, Nd)
Gemmill, W.R.; Smith, M.D.; zur Loye, H.C.; Journal of Solid State Chemistry 177 (2004) 3560–3567; doi:

data_1534459
_publ_section_title
;
 Synthesis and magnetic properties of the double perovskites Ln2 Na Ru O6
 (Ln = La, Pr, Nd)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3560
_journal_page_last               3567
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'La2 Na O6 Ru'
_chemical_name_systematic        'La2 Na Ru O6'
_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                 90.495
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5903
_cell_length_b                   5.9241
_cell_length_c                   7.999
_cell_volume                     264.897
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gemmill_JSSCBI_2004_1523.cif
_cod_data_source_block           La2Na1O6Ru1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'La2 Na1 O6 Ru1'
_cod_database_code               1534459
Cluster Synthesis. 3. The Role of Sulfido Ligands in the Synthesis of High Nuclearity Metal Carbonyl Cluster Compounds. The Crystal and Molecular Structures of Os4 (C O)12 (mue 3-S) and Os7 (C O)19 (mue 4-S)
Adams, R.D.; Foust, D.F.; Mathur, P.; Organometallics 2 (1983) 990–996; doi:

data_4086312
_publ_section_title
;
 Cluster Synthesis. 3. The Role of Sulfido Ligands in the Synthesis of
 High Nuclearity Metal Carbonyl Cluster Compounds. The Crystal and
 Molecular Structures of Os4 (C O)12 (mue 3-S) and Os7 (C O)19 (mue 4-S)
;
_journal_name_full               Organometallics
_journal_page_first              990
_journal_page_last               996
_journal_volume                  2
_journal_year                    1983
_chemical_formula_sum            'C12 O12 Os4 S'
_chemical_name_systematic        'Os4 (C O)12 (S)'
_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                 104.93
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.11
_cell_length_b                   8.491
_cell_length_c                   16.61
_cell_volume                     3966.946
_citation_journal_id_ASTM        ORGND7
_cod_data_source_file            Adams_ORGND7_1983_301.cif
_cod_data_source_block           C12O12Os4S1
_cod_original_formula_sum        'C12 O12 Os4 S1'
_cod_database_code               4086312
Structural change of C-rare Earth sesquioxides Yb~2~O~3~ and Er~2~O~3~ as a function of temperature
Saiki, A.; Ishizawa, N.; Mizutani, N.; Kato, M.; Journal of the Ceramic Association, Japan 93 (1985) 649–654; doi:10.2109/jcersj1950.93.1082_649

data_1534460
_publ_section_title
;
 Structural change of C-rare Earth sesquioxides Yb~2~O~3~ and Er~2~O~3~ as a
 function of temperature
;
_journal_issue                   1082
_journal_name_full               'Journal of the Ceramic Association, Japan'
_journal_page_first              649
_journal_page_last               654
_journal_paper_doi               10.2109/jcersj1950.93.1082_649
_journal_volume                  93
_journal_year                    1985
_chemical_formula_sum            'O3 Yb2'
_chemical_name_systematic        'Yb2 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                   10.4579
_cell_length_b                   10.4579
_cell_length_c                   10.4579
_cell_volume                     1143.756
_citation_journal_id_ASTM        YGKSA4
_cod_data_source_file            Saiki_YGKSA4_1985_944.cif
_cod_data_source_block           O3Yb2
_cod_database_code               1534460
Etude par diffractions X et neutronique en Temps de voi de la solution solide de type fluorine excedentaire en anions Pb1-xZrxF2+2x (O < x >.18)
Laval, J.P.; Depierrefixe, C.; Roult, G.; Frit, B.; Journal of Solid State Chemistry 54 (1984) 260–276; doi:

data_1534461
_publ_section_title
;
 Etude par diffractions X et neutronique en Temps de voi de la solution
 solide de type fluorine excedentaire en anions Pb1-xZrxF2+2x (O < x >.18)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              260
_journal_page_last               276
_journal_volume                  54
_journal_year                    1984
_chemical_formula_sum            'F2.25 Pb0.875 Zr0.125'
_chemical_name_systematic        'Pb.875 Zr.125 F2.25'
_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                   5.86
_cell_length_b                   5.86
_cell_length_c                   5.86
_cell_volume                     201.230
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Laval_JSSCBI_1984_349.cif
_cod_data_source_block           F2.25Pb0.875Zr0.125
_cod_original_cell_volume        201.2301
_cod_database_code               1534461
Synthesis and magnetic properties of the double perovskites Ln2 Na Ru O6 (Ln = La, Pr, Nd)
Gemmill, W.R.; Smith, M.D.; zur Loye, H.C.; Journal of Solid State Chemistry 177 (2004) 3560–3567; doi:

data_1534462
_publ_section_title
;
 Synthesis and magnetic properties of the double perovskites Ln2 Na Ru O6
 (Ln = La, Pr, Nd)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3560
_journal_page_last               3567
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Na Nd2 O6 Ru'
_chemical_name_systematic        'Nd2 Na Ru O6'
_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                 90.883
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4944
_cell_length_b                   5.9009
_cell_length_c                   7.8917
_cell_volume                     255.834
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gemmill_JSSCBI_2004_1524.cif
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