LMucko/crystallography-open-database huggingface dataset:
Location of the hydrogen atoms in H3 Mn3 (C O)12. A crystal structure determination
Kirtley, S.W.; Olsen, J.P.; Bau, R.; Journal of the American Chemical Society 95 (1973) 4532–4536; doi:

data_4123955
_publ_section_title
;
 Location of the hydrogen atoms in H3 Mn3 (C O)12. A crystal structure
 determination
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4532
_journal_page_last               4536
_journal_volume                  95
_journal_year                    1973
_chemical_formula_sum            'C12 H3 Mn3 O12'
_chemical_name_systematic        'H3 Mn3 (C O)12'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.22
_cell_angle_beta                 118.5
_cell_angle_gamma                96.95
_cell_formula_units_Z            2
_cell_length_a                   8.215
_cell_length_b                   14.864
_cell_length_c                   8.99
_cell_volume                     890.762
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Kirtley_JACSAT_1973_1488.cif
_cod_data_source_block           C12H3Mn3O12
_cod_original_cell_volume        890.7625
_cod_database_code               4123955
Synthetischer Sulfat-hydrocancrinit vom Mikrosommit-Typ
Klaska, R.; Jarchow, O.; Naturwissenschaften 64 (1977) 93–93; doi:

data_1524697
_publ_section_title
;
 Synthetischer Sulfat-hydrocancrinit vom Mikrosommit-Typ
;
_journal_name_full               Naturwissenschaften
_journal_page_first              93
_journal_page_last               93
_journal_volume                  64
_journal_year                    1977
_chemical_formula_sum            'Al18 H15.64 K9 Na15 O88.82 S2 Si18'
_chemical_name_systematic
'K9 Na15 (Al Si O4)18 (O H)2 (S O4)2 (H2 O)6.82'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   22.13799
_cell_length_b                   22.13799
_cell_length_c                   5.248
_cell_volume                     2227.413
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Klaska_NATWAY_1977_728.cif
_cod_data_source_block           H15.64Al18K9Na15O88.82S2Si18
_cod_original_cell_volume        2227.414
_cod_original_formula_sum        'H15.64 Al18 K9 Na15 O88.82 S2 Si18'
_cod_database_code               1524697
K Ga Ge3 O8, ein Paracelsian-Typ mit einwertigem Kation
Klaska, R.; Jarchow, O.; Naturwissenschaften 64 (1977) 92–93; doi:

data_1524698
_publ_section_title
;
 K Ga Ge3 O8, ein Paracelsian-Typ mit einwertigem Kation
;
_journal_name_full               Naturwissenschaften
_journal_page_first              92
_journal_page_last               93
_journal_volume                  64
_journal_year                    1977
_chemical_formula_sum            'Ga Ge3 K O8'
_chemical_name_systematic        'K Ga Ge3 O8'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.467
_cell_length_b                   9.876
_cell_length_c                   8.71
_cell_volume                     814.351
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Klaska_NATWAY_1977_818.cif
_cod_data_source_block           Ga1Ge3K1O8
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'Ga1 Ge3 K1 O8'
_cod_database_code               1524698
Zur Kenntnis von Pb Al2 Se4 und Pb Ga2 Se4
Klee, W.; Schaefer, H.; Materials Research Bulletin 15 (1980) 1033–1038; doi:

data_1524699
_publ_section_title
;
 Zur Kenntnis von Pb Al2 Se4 und Pb Ga2 Se4
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1033
_journal_page_last               1038
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'Al2 Pb Se4'
_chemical_name_systematic        'Pb Al2 Se4'
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.36
_cell_length_b                   10.63
_cell_length_c                   10.78
_cell_volume                     728.801
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Klee_MRBUAC_1980_474.cif
_cod_data_source_block           Al2Pb1Se4
_cod_original_cell_volume        728.8013
_cod_original_formula_sum        'Al2 Pb1 Se4'
_cod_database_code               1524699
Zur Kenntnis von Pb Al2 Se4 und Pb Ga2 Se4
Klee, W.; Schaefer, H.; Materials Research Bulletin 15 (1980) 1033–1038; doi:

data_1524700
_publ_section_title
;
 Zur Kenntnis von Pb Al2 Se4 und Pb Ga2 Se4
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1033
_journal_page_last               1038
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'Ga2 Pb Se4'
_chemical_name_systematic        'Pb Ga2 Se4'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   21.37
_cell_length_b                   21.47
_cell_length_c                   12.72
_cell_volume                     5836.113
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Klee_MRBUAC_1980_475.cif
_cod_data_source_block           Ga2Pb1Se4
_cod_original_formula_sum        'Ga2 Pb1 Se4'
_cod_database_code               1524700
Zur Darstellung und Kristallstruktur von Ca Al6 Te10 und Ca Ga6 Te10
Klee, W.E.; Schaefer, H.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 657–661; doi:

data_7221215
_publ_section_title
;
 Zur Darstellung und Kristallstruktur von Ca Al6 Te10 und Ca Ga6 Te10
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              657
_journal_page_last               661
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'Al6 Ca Te10'
_chemical_name_systematic        'Ca Al6 Te10'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.28
_cell_length_b                   10.28
_cell_length_c                   10.28
_cell_volume                     1086.374
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Klee_ZNBAD2_1979_340.cif
_cod_data_source_block           Al6Ca1Te10
_cod_original_formula_sum        'Al6 Ca1 Te10'
_cod_database_code               7221215
Zur Darstellung und Kristallstruktur von Ca Al6 Te10 und Ca Ga6 Te10
Klee, W.E.; Schaefer, H.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 657–661; doi:

data_7221216
_publ_section_title
;
 Zur Darstellung und Kristallstruktur von Ca Al6 Te10 und Ca Ga6 Te10
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              657
_journal_page_last               661
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'Ca Ga6 Te10'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.4
_cell_length_b                   14.4
_cell_length_c                   10.21
_cell_volume                     2117.146
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Klee_ZNBAD2_1979_346.cif
_cod_data_source_block           Ca1Ga6Te10
_cod_original_formula_sum        'Ca1 Ga6 Te10'
_cod_database_code               7221216
Solid solutions in copper-iron alloys quenched rapidly from the melt
Klement, W.jr.; Transactions of the Metallurgical Society of Aime 233 (1965) 1180–1182; doi:

data_1524701
_publ_section_title
;
 Solid solutions in copper-iron alloys quenched rapidly from the melt
;
_journal_name_full
'Transactions of the Metallurgical Society of Aime'
_journal_page_first              1180
_journal_page_last               1182
_journal_volume                  233
_journal_year                    1965
_chemical_formula_sum            'Cu0.8 Fe0.2'
_chemical_name_systematic        '(Cu0.8 Fe0.2)'
_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                   3.6184
_cell_length_b                   3.6184
_cell_length_c                   3.6184
_cell_volume                     47.375
_citation_journal_id_ASTM        TMSAAB
_cod_data_source_file            Klement_TMSAAB_1965_1413.cif
_cod_data_source_block           Cu0.8Fe0.2
_cod_original_cell_volume        47.37506
_cod_database_code               1524701
Fe B - Cr B stacking variations of ternary rare earth-metal transition alloys in quasi-binary sections R1-x R'x Ni
Klepp, K.; Parthe, E.; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 774–782; doi:

data_2106155
_publ_section_title
;
 Fe B - Cr B stacking variations of ternary rare earth-metal transition
 alloys in quasi-binary sections R1-x R'x Ni
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              774
_journal_page_last               782
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Dy0.45 Gd0.55 Ni'
_chemical_name_systematic        '(Dy0.45 Gd0.55) Ni'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.39
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.35
_cell_length_b                   4.271
_cell_length_c                   5.468
_cell_volume                     329.632
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Klepp_ACBCAR_1980_1687.cif
_cod_data_source_block           Dy0.45Gd0.55Ni1
_cod_original_cell_volume        329.6323
_cod_original_formula_sum        'Dy0.45 Gd0.55 Ni1'
_cod_database_code               2106155
Phase relationship of ternry rare earth-transition metal alloys with Cr B and Fe B structures of stacking variants
Klepp, K.; Parthe, E.; Journal of the Less-Common Metals 85 (1982) 181–194; doi:

data_1524702
_publ_section_title
;
 Phase relationship of ternry rare earth-transition metal alloys with Cr B
 and Fe B structures of stacking variants
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              181
_journal_page_last               194
_journal_volume                  85
_journal_year                    1982
_chemical_formula_sum            'Er Gd Ni2'
_chemical_name_systematic        '(Er Gd) Ni2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97
_cell_angle_gamma                90
_cell_formula_units_Z            3
_cell_length_a                   10.647
_cell_length_b                   4.174
_cell_length_c                   5.459
_cell_volume                     240.793
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Klepp_JCOMAH_1982_1729.cif
_cod_data_source_block           Er1Gd1Ni2
_cod_original_cell_volume        240.7928
_cod_original_formula_sum        'Er1 Gd1 Ni2'
_cod_database_code               1524702
Phase relationship of ternary rare earth-transition metal alloys with Cr B and Fe B structures of stacking variants
Klepp, K.; Parthe, E.; Journal of the Less-Common Metals 85 (1982) 181–194; doi:

data_1524703
_publ_section_title
;
 Phase relationship of ternary rare earth-transition metal alloys with Cr
 B and Fe B structures of stacking variants
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              181
_journal_page_last               194
_journal_volume                  85
_journal_year                    1982
_chemical_formula_sum            'Er0.3 Gd0.7 Ni'
_chemical_name_systematic        '(Er0.3 Gd0.7) Ni'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.3
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   18.05
_cell_length_b                   4.205
_cell_length_c                   5.474
_cell_volume                     405.941
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Klepp_JCOMAH_1982_1730.cif
_cod_data_source_block           Er0.3Gd0.7Ni1
_cod_original_cell_volume        405.9409
_cod_original_formula_sum        'Er0.3 Gd0.7 Ni1'
_cod_database_code               1524703
Phase relationship of ternary rare earth-transition metal alloys with Cr B and Fe B structures of stacking variants
Klepp, A.; Parthe, E.; Journal of the Less-Common Metals 85 (1982) 181–194; doi:

data_1524704
_publ_section_title
;
 Phase relationship of ternary rare earth-transition metal alloys with Cr
 B and Fe B structures of stacking variants
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              181
_journal_page_last               194
_journal_volume                  85
_journal_year                    1982
_chemical_formula_sum            'Dy Ni0.35 Pd0.65'
_chemical_name_systematic        'Dy (Ni0.35 Pd0.65)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.73
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   10.47
_cell_length_b                   4.455
_cell_length_c                   5.501
_cell_volume                     254.820
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Klepp_JCOMAH_1982_1806.cif
_cod_data_source_block           Dy1Ni0.35Pd0.65
_cod_original_cell_volume        254.8198
_cod_original_formula_sum        'Dy1 Ni0.35 Pd0.65'
_cod_database_code               1524704
Uebergangsmetall-Chalkogensysteme, 4. Mitt.: Die Systeme Kobalt-Tellur und Kobalt-Nickel-Tellur
Klepp, K.O.; Komarek, K.L.; Monatshefte fuer Chemie (-108,1977) 104 (1973) 105–117; doi:

data_1524705
_publ_section_title
;
 Uebergangsmetall-Chalkogensysteme, 4. Mitt.: Die Systeme Kobalt-Tellur
 und Kobalt-Nickel-Tellur
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              105
_journal_page_last               117
_journal_volume                  104
_journal_year                    1973
_chemical_formula_sum            'Co0.8 Ni0.8 Te2'
_chemical_name_systematic        '(Co Ni)0.8 Te2'
_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            1
_cell_length_a                   3.902
_cell_length_b                   3.902
_cell_length_c                   5.371
_cell_volume                     70.821
_citation_journal_id_ASTM        MOCHAP
_cod_data_source_file            Klepp_MOCHAP_1973_1159.cif
_cod_data_source_block           Co0.8Ni0.8Te2
_cod_original_cell_volume        70.82071
_cod_database_code               1524705
Ternaere Thallium-Uebergangsmetall-Chalkogenide mit Th Cr2 Si2 - Struktur
Klepp, K.O.; Boller, H.; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 109 (1978) 1049–1057; doi:

data_1524706
_publ_section_title
;
 Ternaere Thallium-Uebergangsmetall-Chalkogenide mit Th Cr2 Si2 - Struktur
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              1049
_journal_page_last               1057
_journal_volume                  109
_journal_year                    1978
_chemical_formula_sum            'Co2 S2 Tl'
_chemical_name_systematic        'Tl Co2 S2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.741
_cell_length_b                   3.741
_cell_length_c                   12.956
_cell_volume                     181.320
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Klepp_MOCMB7_1978_330.cif
_cod_data_source_block           Co2S2Tl1
_cod_original_cell_volume        181.3203
_cod_original_formula_sum        'Co2 S2 Tl1'
_cod_database_code               1524706
Die Kristallstruktur von Tl Fe3 Te3
Klepp, K.O.; Boller, H.; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 110 (1979) 677–684; doi:

data_1524707
_publ_section_title
;
 Die Kristallstruktur von Tl Fe3 Te3
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              677
_journal_page_last               684
_journal_volume                  110
_journal_year                    1979
_chemical_formula_sum            'Fe3 Te3 Tl'
_chemical_name_systematic        'Tl Fe3 Te3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.35
_cell_length_b                   9.35
_cell_length_c                   4.223
_cell_volume                     319.724
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Klepp_MOCMB7_1979_297.cif
_cod_data_source_block           Fe3Te3Tl1
_cod_original_cell_volume        319.7238
_cod_original_formula_sum        'Fe3 Te3 Tl1'
_cod_database_code               1524707
Die Kristallstruktur von Tl Fe Se2 und Tl Fe S2
Klepp, K.O.; Boller, H.; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 110 (1979) 1045–1055; doi:

data_1524708
_publ_section_title
;
 Die Kristallstruktur von Tl Fe Se2 und Tl Fe S2
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              1045
_journal_page_last               1055
_journal_volume                  110
_journal_year                    1979
_chemical_formula_sum            'Fe Se2 Tl'
_chemical_name_systematic        'Tl Fe Se2'
_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                 118.165
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.973
_cell_length_b                   5.49
_cell_length_c                   7.1105
_cell_volume                     412.044
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Klepp_MOCMB7_1979_298.cif
_cod_data_source_block           Fe1Se2Tl1
_cod_original_cell_volume        412.0435
_cod_original_formula_sum        'Fe1 Se2 Tl1'
_cod_database_code               1524708
Na3 Fe2 S4: ein Thioferrat mit gemischt valenter (Fe S2)-Kette
Klepp, K.O.; Boller, H.; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 112 (1981) 83–89; doi:

data_1524709
_publ_section_title
;
 Na3 Fe2 S4: ein Thioferrat mit gemischt valenter (Fe S2)-Kette
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              83
_journal_page_last               89
_journal_volume                  112
_journal_year                    1981
_chemical_formula_sum            'Fe2 Na3 S4'
_chemical_name_systematic        'Na3 (Fe2 S4)'
_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                   6.6333
_cell_length_b                   10.675
_cell_length_c                   10.677
_cell_volume                     756.043
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Klepp_MOCMB7_1981_299.cif
_cod_data_source_block           Fe2Na3S4
_cod_original_cell_volume        756.0435
_cod_database_code               1524709
(A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2 und Yb Cu2 P2
Kluefers, P.; Mewis, A.; Schuster, H.U.; Zeitschrift fuer Kristallographie (149,1979-) 149 (1979) 211–225; doi:

data_8103563
_publ_section_title
;
 (A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2
 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2
 und Yb Cu2 P2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              211
_journal_page_last               225
_journal_volume                  149
_journal_year                    1979
_chemical_formula_sum            'Cu2 P2 Th'
_chemical_name_systematic        'Th Cu2 P2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.028
_cell_length_b                   4.028
_cell_length_c                   6.469
_cell_volume                     90.896
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Kluefers_ZEKRDZ_1979_258.cif
_cod_data_source_block           Cu2P2Th1
_cod_original_cell_volume        90.8964
_cod_original_formula_sum        'Cu2 P2 Th1'
_cod_database_code               8103563