LMucko/crystallography-open-database huggingface dataset:
Ternary superconductors
Jorgensen, J.D.; Hinks, D.G.; Rotella, F.J.; Structure Reports 48 (1981) 66–67; doi:

data_1536273
_publ_section_title
;
 Ternary superconductors
;
_journal_name_full               'Structure Reports'
_journal_page_first              66
_journal_page_last               67
_journal_volume                  48
_journal_year                    1981
_chemical_formula_sum            'Fe0.4 Mo6 S8 Sn'
_chemical_name_systematic        'Fe0.4 Mo6 Sn S8'
_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                   9.2256
_cell_length_b                   9.2256
_cell_length_c                   11.3418
_cell_volume                     835.991
_citation_journal_id_ASTM        SRPORB
_cod_data_source_file            Jorgensen_SRPORB_1981_1690.cif
_cod_data_source_block           Fe0.4Mo6S8Sn1
_cod_original_cell_volume        835.9915
_cod_original_formula_sum        'Fe0.4 Mo6 S8 Sn1'
_cod_database_code               1536273
Phosphate-fluoride complex compounds of antimony(III)
Davidovich, R.L.; Fedorishcheva, G.A.; Zemnukhova, L.A.; Ivanov, S.B.; Kaidalova, T.A.; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 16 (1990) 177–184; doi:

data_1536274
_publ_section_title
;
 Phosphate-fluoride complex compounds of antimony(III)
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              177
_journal_page_last               184
_journal_volume                  16
_journal_year                    1990
_chemical_formula_sum            'Cs F3 H2 O4 P Sb'
_chemical_name_systematic        'Cs (H2 P O4) (Sb F3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                103.39
_cell_formula_units_Z            4
_cell_length_a                   10.577
_cell_length_b                   9.406
_cell_length_c                   7.356
_cell_volume                     711.935
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Davidovich_KOKHDC_1990_967.cif
_cod_data_source_block           H2Cs1F3O4P1Sb1
_cod_original_cell_volume        711.9345
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'H2 Cs1 F3 O4 P1 Sb1'
_cod_database_code               1536274
Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3 Br7
Oldag, T.; Keller, H.L.; Zeitschrift fuer Kristallographie (149,1979-) 220 (2005) 152–157; doi:

data_8104078
_publ_section_title
;
 Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3
 Br7
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              152
_journal_page_last               157
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'Br7 Cu Pb3'
_chemical_name_systematic        'Cu Pb3 Br7'
_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                   7.8998
_cell_length_b                   23.805
_cell_length_c                   6.9336
_cell_volume                     1303.896
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Oldag_ZEKRDZ_2005_1628.cif
_cod_data_source_block           Br7Cu1Pb3
_cod_original_formula_sum        'Br7 Cu1 Pb3'
_cod_database_code               8104078
Preparation and properties of some curium silicides
Weigel, F.; Marquart, R.; Journal of the Less-Common Metals 90 (1983) 283–290; doi:

data_1536275
_publ_section_title
;
 Preparation and properties of some curium silicides
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              283
_journal_page_last               290
_journal_volume                  90
_journal_year                    1983
_chemical_formula_sum            'Cm Si'
_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                   5.954
_cell_length_b                   8.27
_cell_length_c                   3.914
_cell_volume                     192.724
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Weigel_JCOMAH_1983_313.cif
_cod_data_source_block           Cm1Si1
_cod_original_cell_volume        192.7237
_cod_original_formula_sum        'Cm1 Si1'
_cod_database_code               1536275
Nachweis monomerer Baugruppen in Schmelzen von Polygermanatosilicaten
Jost, K.H.; Wolf, H.; Thilo, E.; Zeitschrift fuer Anorganische und Allgemeine Chemie 353 (1967) 42–47; doi:

data_1536276
_publ_section_title
;
 Nachweis monomerer Baugruppen in Schmelzen von Polygermanatosilicaten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              42
_journal_page_last               47
_journal_volume                  353
_journal_year                    1967
_chemical_formula_sum            'Ca Ge0.5 O3 Si0.5'
_chemical_name_systematic        'Ca ((Si0.5 Ge0.5) O3)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.3
_cell_angle_beta                 94.5
_cell_angle_gamma                102.7
_cell_formula_units_Z            6
_cell_length_a                   7.96
_cell_length_b                   7.45
_cell_length_c                   7.08
_cell_volume                     408.214
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jost_ZAACAB_1967_717.cif
_cod_data_source_block           Ca1Ge0.5O3Si0.5
_cod_original_cell_volume        408.2144
_cod_original_formula_sum        'Ca1 Ge0.5 O3 Si0.5'
_cod_database_code               1536276
The crystal growth and characterization of the lanthanide-containing double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).
Davis, M.J.; Mugavero, S.J.; Glab, K.I.; Smith, M.D.; zur Loye, H.C.; Solid State Sciences 6 (2004) 413–417; doi:

data_1536277
_publ_section_title
;
 The crystal growth and characterization of the lanthanide-containing
 double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              413
_journal_page_last               417
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Ir La2 Na O6'
_chemical_name_systematic        'La2 Na Ir 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                 90.425
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5959
_cell_length_b                   5.9499
_cell_length_c                   8.0213
_cell_volume                     267.062
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Davis_SSSCFJ_2004_1340.cif
_cod_data_source_block           Ir1La2Na1O6
_cod_original_cell_volume        267.0622
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ir1 La2 Na1 O6'
_cod_database_code               1536277
Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3 Br7
Oldag, T.; Keller, H.L.; Zeitschrift fuer Kristallographie (149,1979-) 220 (2005) 152–157; doi:

data_8104079
_publ_section_title
;
 Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3
 Br7
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              152
_journal_page_last               157
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'Br7 Cu Pb3'
_chemical_name_systematic        'Cu Pb3 Br7'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.037
_cell_angle_beta                 90.284
_cell_angle_gamma                89.999
_cell_formula_units_Z            8
_cell_length_a                   7.8414
_cell_length_b                   23.671
_cell_length_c                   13.7702
_cell_volume                     2555.907
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Oldag_ZEKRDZ_2005_1629.cif
_cod_data_source_block           Br7Cu1Pb3
_cod_original_formula_sum        'Br7 Cu1 Pb3'
_cod_database_code               8104079
Preparation and properties of some curium silicides
Weigel, F.; Marquart, R.; Journal of the Less-Common Metals 90 (1983) 283–290; doi:

data_1536278
_publ_section_title
;
 Preparation and properties of some curium silicides
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              283
_journal_page_last               290
_journal_volume                  90
_journal_year                    1983
_chemical_formula_sum            'Cm Si1.5'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.87
_cell_length_b                   3.87
_cell_length_c                   4.145
_cell_volume                     53.762
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Weigel_JCOMAH_1983_314.cif
_cod_data_source_block           Cm1Si1.5
_cod_original_cell_volume        53.7622
_cod_original_formula_sum        'Cm1 Si1.5'
_cod_database_code               1536278
Structure cristalline de Cs Cu2 I3
Jouini, N.; Guen, L.; Tournoux, M.; Revue de Chimie Minerale 17 (1980) 486–491; doi:

data_1536279
_publ_section_title
;
 Structure cristalline de Cs Cu2 I3
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              486
_journal_page_last               491
_journal_volume                  17
_journal_year                    1980
_chemical_formula_sum            'Cs Cu2 I3'
_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                   10.505
_cell_length_b                   13.147
_cell_length_c                   6.072
_cell_volume                     838.599
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Jouini_RVCMA8_1980_481.cif
_cod_data_source_block           Cs1Cu2I3
_cod_original_cell_volume        838.5993
_cod_original_formula_sum        'Cs1 Cu2 I3'
_cod_database_code               1536279
The crystal growth and characterization of the lanthanide-containing double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).
Davis, M.J.; Mugavero, S.J.; Glab, K.I.; Smith, M.D.; zur Loye, H.C.; Solid State Sciences 6 (2004) 413–417; doi:

data_1536280
_publ_section_title
;
 The crystal growth and characterization of the lanthanide-containing
 double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              413
_journal_page_last               417
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Ir Na O6 Pr2'
_chemical_name_systematic        'Pr2 Na Ir 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                 90.793
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5322
_cell_length_b                   5.9341
_cell_length_c                   7.9412
_cell_volume                     260.674
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Davis_SSSCFJ_2004_1341.cif
_cod_data_source_block           Ir1Na1O6Pr2
_cod_original_cell_volume        260.6737
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ir1 Na1 O6 Pr2'
_cod_database_code               1536280
The (Hg3)(2+) group as a framework unit in a host-guest compound: (Hg11 As4) (Ga Br4)4
Olenev, A.V.; Shevel'kov, A.V.; Angew. Chem. Int. ed. 40 (2001) 2353–2354; doi:

data_1536281
_publ_section_title
;
 The (Hg3)(2+) group as a framework unit in a host-guest compound: (Hg11
 As4) (Ga Br4)4
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              2353
_journal_page_last               2354
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'As4 Br16 Ga4 Hg11'
_chemical_name_systematic        '(Hg11 As4) (Ga Br4)4'
_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                 98.56
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.272
_cell_length_b                   7.558
_cell_length_c                   22.4719
_cell_volume                     2229.041
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Olenev_ACIEF5_2001_78.cif
_cod_data_source_block           As4Br16Ga4Hg11
_cod_original_cell_volume        2229.042
_cod_database_code               1536281
Preparation and properties of some curium silicides
Weigel, F.; Marquart, R.; Journal of the Less-Common Metals 90 (1983) 283–290; doi:

data_1536282
_publ_section_title
;
 Preparation and properties of some curium silicides
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              283
_journal_page_last               290
_journal_volume                  90
_journal_year                    1983
_chemical_formula_sum            'Cm Si2'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.963
_cell_length_b                   3.963
_cell_length_c                   13.72
_cell_volume                     215.478
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Weigel_JCOMAH_1983_315.cif
_cod_data_source_block           Cm1Si2
_cod_original_cell_volume        215.4777
_cod_original_sg_symbol_Hall     '-I 4bd 2 (x+1/2,y+1/4,z+1/8)'
_cod_original_formula_sum        'Cm1 Si2'
_cod_database_code               1536282
Aluminoborate-based molecular sieves with 18-octahedral-atom tunnels
Ju Jing; Lin Jianhua; Li Guobao; Yang Tao; Loong Chun-K; Liao Fuhui; Li Hongmei; You Liping; Angew. Chem. Int. ed. 42 (2003) 5607–5610; doi:

data_1536283
_publ_section_title
;
 Aluminoborate-based molecular sieves with 18-octahedral-atom tunnels
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              5607
_journal_page_last               5610
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'Al3 B6 H9 O17.847'
_chemical_name_systematic        'H5 Al3 (B6 O12) O1.847 (O H)4'
_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            9
_cell_length_a                   22.03814
_cell_length_b                   22.03814
_cell_length_c                   7.02613
_cell_volume                     2955.267
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            JuJing_ACIEF5_2003_1095.cif
_cod_data_source_block           H9Al3B6O17.847
_cod_original_formula_sum        'H9 Al3 B6 O17.847'
_cod_database_code               1536283
The crystal growth and characterization of the lanthanide-containing double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).
Davis, M.J.; Mugavero, S.J.; Glab, K.I.; Smith, M.D.; zur Loye, H.C.; Solid State Sciences 6 (2004) 413–417; doi:

data_1536284
_publ_section_title
;
 The crystal growth and characterization of the lanthanide-containing
 double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              413
_journal_page_last               417
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Ir Na Nd2 O6'
_chemical_name_systematic        'Nd2 Na Ir 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                 90.946
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.506
_cell_length_b                   5.9228
_cell_length_c                   7.9131
_cell_volume                     258.018
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Davis_SSSCFJ_2004_1342.cif
_cod_data_source_block           Ir1Na1Nd2O6
_cod_original_cell_volume        258.0184
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ir1 Na1 Nd2 O6'
_cod_database_code               1536284
A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal Structures and Host-Guest Interactions.
Olenev, A.V.; Baranov, A.I.; Shevelkov, A.V.; Popovkin, B.A.; European Journal of Inorganic Chemistry 2002 (2002) 547–553; doi:

data_4031610
_publ_section_title
;
 A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z
 Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal
 Structures and Host-Guest Interactions.
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              547
_journal_page_last               553
_journal_volume                  2002
_journal_year                    2002
_chemical_formula_sum            'Hg6.16 I6 Sb4 Sn'
_chemical_name_systematic        'Hg6.16 Sn Sb4 I6'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.285
_cell_length_b                   13.285
_cell_length_c                   13.285
_cell_volume                     2344.686
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Olenev_EJICFO_2002_209.cif
_cod_data_source_block           Hg6.16I6Sb4Sn1
_cod_original_formula_sum        'Hg6.16 I6 Sb4 Sn1'
_cod_database_code               4031610
Darstellung, Kristallstruktur und Infrarotspektrum von (Mo N Cl3 P O Cl3)4
Weiher, U.; Dehnicke, K.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 33 (1978) 1347–1351; doi:

data_7222678
_publ_section_title
;
 Darstellung, Kristallstruktur und Infrarotspektrum von (Mo N Cl3 P O
 Cl3)4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              1347
_journal_page_last               1351
_journal_volume                  33
_journal_year                    1978
_chemical_formula_sum            'Cl24 Mo4 N4 O4 P4'
_chemical_name_systematic        '(Mo N Cl3 (P O Cl3))4'
_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                 118.97
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.695
_cell_length_b                   14.595
_cell_length_c                   13.439
_cell_volume                     2006.857
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Weiher_ZNBAD2_1978_196.cif
_cod_data_source_block           Cl24Mo4N4O4P4
_cod_database_code               7222678
Synthesis and characterization of the rare-earth dicyanamides Ln (N (C N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu
Juergens, B.; Irran, E.; Schnick, W.; Journal of Solid State Chemistry 178 (2005) 72–78; doi:

data_1536285
_publ_section_title
;
 Synthesis and characterization of the rare-earth dicyanamides Ln (N (C
 N)2)3 with Ln = La, Ce, Pr, Nd, Sm, and Eu
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              72
_journal_page_last               78
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'C6 Eu N9'
_chemical_name_systematic        'Eu (N (C N)2)3'
_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                   7.7667
_cell_length_b                   11.3513
_cell_length_c                   10.1368
_cell_volume                     893.682
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Juergens_JSSCBI_2005_886.cif
_cod_data_source_block           C6Eu1N9
_cod_original_formula_sum        'C6 Eu1 N9'
_cod_database_code               1536285
Crystal structure of the adduct trimethylamine - hydrogen chloride (2/3), ((Me3 N H)2 Cl)(H Cl2)
Deeg, A.; Dahlems, T.; Mootz, D.; Zeitschrift fuer Kristallographie - New Crystal Structures 212 (1997) 401–402; doi:

data_8104080
_publ_section_title
;
 Crystal structure of the adduct trimethylamine - hydrogen chloride (2/3),
 ((Me3 N H)2 Cl)(H Cl2)
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              401
_journal_page_last               402
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'C6 H21 Cl3 N2'
_chemical_name_systematic        '(((C H3)3 N H)2 Cl) (H Cl2)'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.378
_cell_length_b                   10.383
_cell_length_c                   11.316
_cell_volume                     631.598
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Deeg_ZKNSFT_1997_1980.cif
_cod_data_source_block           C6H21Cl3N2
_cod_original_cell_volume        631.5982
_cod_database_code               8104080