LMucko/crystallography-open-database huggingface dataset:
Perdeuterated biuret hydrate C2 D5 N3 O2 (D2 O)0.77
Craven, B.M.; Acta Crystallographica B (24,1968-38,1982) 29 (1973) 1525–1528; doi:

data_2106867
_publ_section_title
;
 Perdeuterated biuret hydrate C2 D5 N3 O2 (D2 O)0.77
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1525
_journal_page_last               1528
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'C2 D5 N3 O2.77'
_chemical_name_systematic        '((N D2) C O (N D) C O (N D2)) (D2 O)0.77'
_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                 118.91
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.6518
_cell_length_b                   17.767
_cell_length_c                   9.048
_cell_volume                     513.890
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Craven_ACBCAR_1973_1010.cif
_cod_data_source_block           C2D5N3O2.77
_cod_original_cell_volume        513.8903
_cod_database_code               2106867
Edifici cristallini con disordine reticolare. Fluoruro di plombio e bismuto. - Note II
Croatto, U.; Gazzetta Chimica Italiana 74 (1944) 20–22; doi:

data_1534377
_publ_section_title
;
 Edifici cristallini con disordine reticolare. Fluoruro di plombio e
 bismuto. - Note II
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              20
_journal_page_last               22
_journal_volume                  74
_journal_year                    1944
_chemical_formula_sum            'Bi F3'
_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                   5.861
_cell_length_b                   5.861
_cell_length_c                   5.861
_cell_volume                     201.333
_citation_journal_id_ASTM        GCITA9
_cod_data_source_file            Croatto_GCITA9_1944_75.cif
_cod_data_source_block           Bi1F3
_cod_original_cell_volume        201.3331
_cod_original_formula_sum        'Bi1 F3'
_cod_database_code               1534377
Edifici cristallini con disordine reticolare. Fluoruro di plombio e bismuto. - Note II
Croatto, U.; Gazzetta Chimica Italiana 74 (1944) 20–22; doi:

data_1534378
_publ_section_title
;
 Edifici cristallini con disordine reticolare. Fluoruro di plombio e
 bismuto. - Note II
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              20
_journal_page_last               22
_journal_volume                  74
_journal_year                    1944
_chemical_formula_sum            'Bi0.33 F2.33 Pb0.67'
_chemical_name_systematic        'Pb0.67 Bi0.33 F2.33'
_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                   5.901
_cell_length_b                   5.901
_cell_length_c                   5.901
_cell_volume                     205.483
_citation_journal_id_ASTM        GCITA9
_cod_data_source_file            Croatto_GCITA9_1944_76.cif
_cod_data_source_block           Bi0.33F2.33Pb0.67
_cod_original_cell_volume        205.4834
_cod_database_code               1534378
Edifici cristallini con disordine reticolare. Fluoruro di plombio e bismuto. - Note II
Croatto, U.; Gazzetta Chimica Italiana 74 (1944) 20–22; doi:

data_1534379
_publ_section_title
;
 Edifici cristallini con disordine reticolare. Fluoruro di plombio e
 bismuto. - Note II
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              20
_journal_page_last               22
_journal_volume                  74
_journal_year                    1944
_chemical_formula_sum            'Bi0.67 F2.67 Pb0.33'
_chemical_name_systematic        'Pb.33 Bi.67 F2.67'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.878
_cell_length_b                   5.878
_cell_length_c                   5.878
_cell_volume                     203.090
_citation_journal_id_ASTM        GCITA9
_cod_data_source_file            Croatto_GCITA9_1944_77.cif
_cod_data_source_block           Bi0.67F2.67Pb0.33
_cod_original_cell_volume        203.0901
_cod_database_code               1534379
On the structures of Y2 Zn9, Gd2 Zn9, and related compounds
Cromer, D.T.; Larson, A.C.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 1016–1022; doi:

data_2106868
_publ_section_title
;
 On the structures of Y2 Zn9, Gd2 Zn9, and related compounds
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1016
_journal_page_last               1022
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Gd2.17 Zn10.67'
_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            12
_cell_length_a                   14.31
_cell_length_b                   14.31
_cell_length_c                   14.05
_cell_volume                     2491.645
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Cromer_ACBCAR_1972_1942.cif
_cod_data_source_block           Gd2.17Zn10.67
_cod_original_cell_volume        2491.646
_cod_database_code               2106868
On the structures of Y2 Zn9, Gd2 Zn9 and related compounds
Cromer, D.T.; Larson, A.C.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 1016–1022; doi:

data_2106869
_publ_section_title
;
 On the structures of Y2 Zn9, Gd2 Zn9 and related compounds
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1016
_journal_page_last               1022
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Y2.103 Zn9.78'
_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            12
_cell_length_a                   14.24
_cell_length_b                   14.24
_cell_length_c                   14
_cell_volume                     2458.548
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Cromer_ACBCAR_1972_1950.cif
_cod_data_source_block           Y2.103Zn9.78
_cod_database_code               2106869
The crystal structure of Pu Pd4
Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.; Acta Crystallographica B (24,1968-38,1982) 29 (1973) 564–567; doi:

data_2106870
_publ_section_title
;
 The crystal structure of Pu Pd4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              564
_journal_page_last               567
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Pd4 Pu3'
_chemical_name_systematic        'Pu3 Pd4'
_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                   13.344
_cell_length_b                   13.344
_cell_length_c                   5.744
_cell_volume                     885.762
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Cromer_ACBCAR_1973_645.cif
_cod_data_source_block           Pd4Pu3
_cod_original_cell_volume        885.7621
_cod_database_code               2106870
Sur deux nouvelles structures du silicium et du germanium de type clathrate
Cros, C.; Pouchard, M.; Hagenmuller, P.; Bulletin de la Societe Chimique de France (Vol=Year) 1971 (1971) 379–386; doi:

data_1534380
_publ_section_title
;
 Sur deux nouvelles structures du silicium et du germanium de type
 clathrate
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              379
_journal_page_last               386
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'Na Si13.6'
_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            10
_cell_length_a                   14.62
_cell_length_b                   14.62
_cell_length_c                   14.62
_cell_volume                     3124.943
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Cros_BSCFAS_1971_753.cif
_cod_data_source_block           Na1Si13.6
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Na1 Si13.6'
_cod_database_code               1534380
Sur deux nouvelles structures du silicium et du germanium de type Clathrate
Cros, C.; Pouchard, M.; Hagenmuller, P.; Bulletin de la Societe Chimique de France (Vol=Year) 1971 (1971) 379–386; doi:

data_1534381
_publ_section_title
;
 Sur deux nouvelles structures du silicium et du germanium de type
 Clathrate
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              379
_journal_page_last               386
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'Na1.44 Si136'
_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            1
_cell_length_a                   14.62
_cell_length_b                   14.62
_cell_length_c                   14.62
_cell_volume                     3124.943
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Cros_BSCFAS_1971_754.cif
_cod_data_source_block           Na1.44Si136
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_database_code               1534381
Redetermination of the crystal structure of potassium lead hexanitrocuprate(II), K2 Pb Cu (N O2)6
Cullen, D.L.; Lingafelter, E.C.; Inorganic Chemistry 10 (1971) 1264–1268; doi:

data_4344222
_publ_section_title
;
 Redetermination of the crystal structure of potassium lead
 hexanitrocuprate(II), K2 Pb Cu (N O2)6
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1264
_journal_page_last               1268
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'Cu K2 N6 O12 Pb'
_chemical_name_systematic        'K2 Pb (Cu (N O2)6)'
_space_group_IT_number           202
_symmetry_space_group_name_Hall  '-F 2 2 3'
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.672
_cell_length_b                   10.672
_cell_length_c                   10.672
_cell_volume                     1215.451
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Cullen_INOCAJ_1971_1172.cif
_cod_data_source_block           Cu1K2N6O12Pb1
_cod_original_formula_sum        'Cu1 K2 N6 O12 Pb1'
_cod_database_code               4344222
A neutron-diffraction study of potassium cobalticyanide
Curry, N.A.; Runciman, W.A.; Acta Crystallographica (1,1948-23,1967) 12 (1959) 674–678; doi:

data_2310802
_publ_section_title
;
 A neutron-diffraction study of potassium cobalticyanide
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              674
_journal_page_last               678
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'C6 Co K3 N6'
_chemical_name_systematic        'K3 (Co (C N)6)'
_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                 107.33
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.1
_cell_length_b                   10.4
_cell_length_c                   8.4
_cell_volume                     592.099
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Curry_ACCRA9_1959_1370.cif
_cod_data_source_block           C6Co1K3N6
_cod_original_cell_volume        592.0994
_cod_original_formula_sum        'C6 Co1 K3 N6'
_cod_database_code               2310802
The crystal and molecular structure of antimony tribromide: beta-antimony tribromide.
Cushen, D.W.; Hulme, R.; Journal of the Chemical Society 1962 (1962) 2218–2222; doi:

data_1534382
_publ_section_title
;
 The crystal and molecular structure of antimony tribromide: beta-antimony
 tribromide.
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              2218
_journal_page_last               2222
_journal_volume                  1962
_journal_year                    1962
_chemical_formula_sum            'Br3 Sb'
_chemical_name_systematic        'Sb Br3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.68
_cell_length_b                   8.25
_cell_length_c                   9.96
_cell_volume                     548.896
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Cushen_JCSOA9_1962_1851.cif
_cod_data_source_block           Br3Sb1
_cod_original_cell_volume        548.8956
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Br3 Sb1'
_cod_database_code               1534382
Kristallstruktur und magnetische Ordnung des Huebnerits, Mn W O4
Dachs, H.; Stoll, E.; Weitzel, H.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 125 (1967) 120–129; doi:

data_8103833
_publ_section_title
;
 Kristallstruktur und magnetische Ordnung des Huebnerits, Mn W O4
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              120
_journal_page_last               129
_journal_volume                  125
_journal_year                    1967
_chemical_formula_sum            'Mn O4 W'
_chemical_name_systematic        'Mn W O4'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.82
_cell_length_b                   5.76
_cell_length_c                   4.97
_cell_volume                     137.967
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Dachs_ZEKGAX_1967_1768.cif
_cod_data_source_block           Mn1O4W1
_cod_original_cell_volume        137.9668
_cod_original_formula_sum        'Mn1 O4 W1'
_cod_database_code               8103833
The crystal structure of black nitrosylpentamminecobalt dichloride
Dale, D.H.; Crowfoot-Hodgkin, D.; Journal of the Chemical Society 1965 (1965) 1364–1371; doi:

data_1534383
_publ_section_title
;
 The crystal structure of black nitrosylpentamminecobalt dichloride
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              1364
_journal_page_last               1371
_journal_volume                  1965
_journal_year                    1965
_chemical_formula_sum            'Cl2 Co H15 N6 O'
_chemical_name_systematic        '(Co (N H3)5 (N O)) Cl2'
_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                   10.445
_cell_length_b                   8.7
_cell_length_c                   10.445
_cell_volume                     949.153
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Dale_JCSOA9_1965_1497.cif
_cod_data_source_block           H15Cl2Co1N6O1
_cod_original_cell_volume        949.1528
_cod_original_formula_sum        'H15 Cl2 Co1 N6 O1'
_cod_database_code               1534383
A Neutron Diffraction Study of Uranyl Nitrate Dihydrate
Dalley, N.K.; Mueller, M.H.; Simonsen, S.H.; Inorganic Chemistry 10 (1971) 323–328; doi:

data_4344223
_publ_section_title
;
 A Neutron Diffraction Study of Uranyl Nitrate Dihydrate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              323
_journal_page_last               328
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'H4 N2 O10 U'
_chemical_name_systematic        'U O2 (N O3)2 (H2 O)2'
_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                 108
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.124
_cell_length_b                   8.432
_cell_length_c                   7.028
_cell_volume                     796.024
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Dalley_INOCAJ_1971_1186.cif
_cod_data_source_block           H4N2O10U1
_cod_original_cell_volume        796.0244
_cod_original_formula_sum        'H4 N2 O10 U1'
_cod_database_code               4344223
Etude Cristallographique du Tellurite de Sodium a Deux Molecules d'Eau, Na2 Te2 O5 (H2 O)2
Daniel, F.; Moret, J.; Maurin, M.; Philippot, E.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1278–1281; doi:

data_2106871
_publ_section_title
;
 Etude Cristallographique du Tellurite de Sodium a Deux Molecules d'Eau,
 Na2 Te2 O5 (H2 O)2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1278
_journal_page_last               1281
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'H8 Na4 O14 Te4'
_chemical_name_systematic        'Na4 Te4 O10 (H2 O)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.51
_cell_angle_beta                 93.14
_cell_angle_gamma                92.23
_cell_formula_units_Z            1
_cell_length_a                   11.632
_cell_length_b                   5.613
_cell_length_c                   6.193
_cell_volume                     393.616
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Daniel_ACBCAR_1981_1401.cif
_cod_data_source_block           H4Na2O7Te2
_cod_depositor_comments
;

2023-05-16
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'H4 Na2 O7 Te2'
_cod_original_formula_units_Z            2
_cod_database_code               2106871
Etude du tellurite mixte de sodium et de potassium a trois molecules d'eau: Na K Te O3 (H2 O)3
Daniel, F.; Moret, J.; Maurin, M.; Philippot, E.; Acta Crystallographica B (24,1968-38,1982) 38 (1982) 703–706; doi:

data_2106872
_publ_section_title
;
 Etude du tellurite mixte de sodium et de potassium a trois molecules
 d'eau: Na K Te O3 (H2 O)3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              703
_journal_page_last               706
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'H6 K Na O6 Te'
_chemical_name_systematic        'Na K (Te O3) (H2 O)3'
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.55
_cell_length_b                   6.55
_cell_length_c                   8.98
_cell_volume                     333.649
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Daniel_ACBCAR_1982_270.cif
_cod_data_source_block           H6K1Na1O6Te1
_cod_original_cell_volume        333.6488
_cod_original_formula_sum        'H6 K1 Na1 O6 Te1'
_cod_database_code               2106872
The Structure of Potassium Chlorate at 77 and 298 K
Danielsen, J.; Larsen, F.K.; Hazell, A.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 913–915; doi:

data_2106873
_publ_section_title
;
 The Structure of Potassium Chlorate at 77 and 298 K
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              913
_journal_page_last               915
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Cl K O3'
_chemical_name_systematic        'K Cl O3'
_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                 110.21
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.63
_cell_length_b                   5.568
_cell_length_c                   7.047
_cell_volume                     170.486
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Danielsen_ACBCAR_1981_1310.cif
_cod_data_source_block           Cl1K1O3
_cod_original_cell_volume        170.4856
_cod_original_formula_sum        'Cl1 K1 O3'
_cod_database_code               2106873
Le systeme nickel-disulfure de titane
Danot, M.; Bichon, J.; Rouxel, J.; Bulletin de la Societe Chimique de France (Vol=Year) 1972 (1972) 3063–3066; doi:

data_1534384
_publ_section_title
;
 Le systeme nickel-disulfure de titane
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              3063
_journal_page_last               3066
_journal_volume                  1972
_journal_year                    1972
_chemical_formula_sum            'Ni S6 Ti3'
_chemical_name_systematic        'Ni Ti3 S6'
_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            3
_cell_length_a                   5.88
_cell_length_b                   5.88
_cell_length_c                   16.98
_cell_volume                     508.420
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Danot_BSCFAS_1972_1238.cif
_cod_data_source_block           Ni1S6Ti3
_cod_original_cell_volume        508.4204
_cod_original_formula_sum        'Ni1 S6 Ti3'
_cod_database_code               1534384