LMucko/crystallography-open-database huggingface dataset:
Crystal structures of heptagallium decatelluride, Ga7 Te10 and heptaindium decatelluride, In7 Te10
Deiseroth, H.J.; Mueller, H.D.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 57–58; doi:

data_8104084
_publ_section_title
;
 Crystal structures of heptagallium decatelluride, Ga7 Te10 and
 heptaindium decatelluride, In7 Te10
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              57
_journal_page_last               58
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'Ga7 Te10'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   14.323
_cell_length_b                   14.323
_cell_length_c                   17.855
_cell_volume                     3172.185
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Deiseroth_ZEKRDZ_1995_1649.cif
_cod_data_source_block           Ga7Te10
_cod_database_code               8104084
Structure refinement of the incommensurate composite crystal Sr1.145 Ta S3 through the Rietveld analysis process
Onoda, M.; Saeki, M.; Yamamoto, A.; Kato, K.; Acta Crystallographica B (39,1983-) 49 (1993) 929–936; doi:

data_2106928
_publ_section_title
;
 Structure refinement of the incommensurate composite crystal Sr1.145 Ta
 S3 through the Rietveld analysis process
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              929
_journal_page_last               936
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            Sr
_chemical_name_systematic        '(Sr1.145 Ti S3).873'
_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            6
_cell_length_a                   6.646
_cell_length_b                   6.646
_cell_length_c                   5.226
_cell_volume                     199.904
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Onoda_ASBSDK_1993_555.cif
_cod_data_source_block           Sr1
_cod_original_cell_volume        199.9036
_cod_original_formula_sum        Sr1
_cod_database_code               2106928
Preparation and crystal structures of two new modifications of mercury(II) selenite(IV), Hg Se O3, and the mixed-valent mercury(II) selenite(IV) selenide(-II), (Hg Se O3)3 Hg Se
Weil, M.; Solid State Sciences 4 (2002) 1153–1162; doi:

data_1536327
_publ_section_title
;
 Preparation and crystal structures of two new modifications of
 mercury(II) selenite(IV), Hg Se O3, and the mixed-valent mercury(II)
 selenite(IV) selenide(-II), (Hg Se O3)3 Hg Se
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1153
_journal_page_last               1162
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Hg O3 Se'
_chemical_name_systematic        'Hg (Se O3)'
_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                 92.06
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.738
_cell_length_b                   9.053
_cell_length_c                   7.146
_cell_volume                     306.316
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Weil_SSSCFJ_2002_682.cif
_cod_data_source_block           Hg1O3Se1
_cod_original_cell_volume        306.3161
_cod_original_formula_sum        'Hg1 O3 Se1'
_cod_database_code               1536327
A variety of different occupancies in isotypic compounds: Ternary antimonides and bismuthides with the ideal formulas T5 T' Sb3 and T5 T' Bi3 (T= Ti, Zr, Hf: T'= late transition metals) and the binary antimonide Ti4.8 Sb3.29, all cryst..
Kaiser, J.W.; Haase, M.G.; Jeitschko, W.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2369–2376; doi:

data_1536328
_publ_section_title
;
 A variety of different occupancies in isotypic compounds: Ternary
 antimonides and bismuthides with the ideal formulas T5 T' Sb3 and T5 T'
 Bi3 (T= Ti, Zr, Hf: T'= late transition metals) and the binary antimonide
 Ti4.8 Sb3.29, all cryst..
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2369
_journal_page_last               2376
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Pt0.65 Sb3 Ti4.73'
_chemical_name_systematic        'Ti4.73 Pt0.65 Sb3'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.088
_cell_length_b                   8.088
_cell_length_c                   5.557
_cell_volume                     314.813
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kaiser_ZAACAB_2001_219.cif
_cod_data_source_block           Pt0.65Sb3Ti4.73
_cod_original_cell_volume        314.8135
_cod_database_code               1536328
Crystal structures of heptagallium decatelluride, Ga7 Te10 and heptaindium decatelluride, In7 Te10
Deiseroth, H.J.; Mueller, H.D.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 57–58; doi:

data_8104085
_publ_section_title
;
 Crystal structures of heptagallium decatelluride, Ga7 Te10 and
 heptaindium decatelluride, In7 Te10
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              57
_journal_page_last               58
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'In7 Te10'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   14.873
_cell_length_b                   14.873
_cell_length_c                   18.91
_cell_volume                     3622.591
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Deiseroth_ZEKRDZ_1995_1650.cif
_cod_data_source_block           In7Te10
_cod_database_code               8104085
Preparation and crystal structure model of a new strontium tantalumsulfide: Sr17 Ta10 S42
Onoda, M.; Saeki, M.; Yajima, Y.; Journal of Solid State Chemistry 105 (1993) 354–362; doi:

data_1536329
_publ_section_title
;
 Preparation and crystal structure model of a new strontium
 tantalumsulfide: Sr17 Ta10 S42
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              354
_journal_page_last               362
_journal_volume                  105
_journal_year                    1993
_chemical_formula_sum            'S42 Sr17 Ta10'
_chemical_name_systematic        'Sr17 Ta10 S42'
_space_group_IT_number           146
_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                   18.1525
_cell_length_b                   18.1525
_cell_length_c                   18.65739
_cell_volume                     5324.201
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Onoda_JSSCBI_1993_623.cif
_cod_data_source_block           S42Sr17Ta10
_cod_database_code               1536329
Preparation and crystal structures of two new modifications of mercury(II) selenite(IV), Hg Se O3, and the mixed-valent mercury(II) selenite(IV) selenide(-II), (Hg Se O3)3 Hg Se
Weil, M.; Solid State Sciences 4 (2002) 1153–1162; doi:

data_1536330
_publ_section_title
;
 Preparation and crystal structures of two new modifications of
 mercury(II) selenite(IV), Hg Se O3, and the mixed-valent mercury(II)
 selenite(IV) selenide(-II), (Hg Se O3)3 Hg Se
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1153
_journal_page_last               1162
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Hg4 O9 Se4'
_chemical_name_systematic        '(Hg (Se O3))3 (Hg Se)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.569
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6309
_cell_length_b                   10.2257
_cell_length_c                   11.7515
_cell_volume                     1155.075
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Weil_SSSCFJ_2002_683.cif
_cod_data_source_block           Hg4O9Se4
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1536330
A variety of different occupancies in isotypic compounds: Ternary antimonides and bismuthides with the ideal formulas T5 T' Sb3 and T5 T' Bi3 (T= Ti, Zr, Hf: T'= late transition metals) and the binary antimonide Ti4.8 Sb3.29, all cryst..
Kaiser, J.W.; Haase, M.G.; Jeitschko, W.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2369–2376; doi:

data_1536331
_publ_section_title
;
 A variety of different occupancies in isotypic compounds: Ternary
 antimonides and bismuthides with the ideal formulas T5 T' Sb3 and T5 T'
 Bi3 (T= Ti, Zr, Hf: T'= late transition metals) and the binary antimonide
 Ti4.8 Sb3.29, all cryst..
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2369
_journal_page_last               2376
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Sb2.85 Ti5'
_chemical_name_systematic        'Ti5 Sb2.85'
_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                   10.22
_cell_length_b                   8.329
_cell_length_c                   7.14
_cell_volume                     607.774
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kaiser_ZAACAB_2001_221.cif
_cod_data_source_block           Sb2.85Ti5
_cod_original_cell_volume        607.7738
_cod_database_code               1536331
Kristallisationsvorgaenge bei metallreichen Rubidiumoxiden
Deiseroth, H.J.; Simon, A.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 33 (1978) 714–722; doi:

data_7222679
_publ_section_title
;
 Kristallisationsvorgaenge bei metallreichen Rubidiumoxiden
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              714
_journal_page_last               722
_journal_volume                  33
_journal_year                    1978
_chemical_formula_sum            'O Rb5.33'
_chemical_name_systematic        'Rb5.33 O'
_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            24
_cell_length_a                   23.152
_cell_length_b                   23.152
_cell_length_c                   23.152
_cell_volume                     12409.822
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Deiseroth_ZNBAD2_1978_195.cif
_cod_data_source_block           O1Rb5.33
_cod_original_cell_volume        12409.82
_cod_original_formula_sum        'O1 Rb5.33'
_cod_database_code               7222679
Crystal structure of low-symmetry ellestadite in comparison with other apatitelike structures.
Organova, N.I.; Rastsvetaeva, R.K.; Kuz'mina, O.V.; Fin'ko, V.I.; Arapova, G.A.; Litsarev, M.A.; Kristallografiya 39 (1994) 278–282; doi:

data_1536332
_publ_section_title
;
 Crystal structure of low-symmetry ellestadite in comparison with other
 apatitelike structures.
;
_journal_name_full               Kristallografiya
_journal_page_first              278
_journal_page_last               282
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'Ca9.94 O25.2 S3 Si3'
_chemical_name_systematic
;
Ca4 (Ca5.94 (O H)1.2 O0.5 Cl0.32) (Si O4)2 (S O4)2 (Si0.5 S0.5 O4)2
;
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                119.99
_cell_formula_units_Z            1
_cell_length_a                   9.526
_cell_length_b                   9.506
_cell_length_c                   6.922
_cell_volume                     542.893
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Organova_KRISAJ_1994_1403.cif
_cod_data_source_block           Ca9.94O25.2S3Si3
_cod_original_cell_volume        542.8931
_cod_original_sg_symbol_Hall     'P 2yb (z,x,y)'
_cod_database_code               1536332
New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions
Weil, M.; Solid State Sciences 6 (2004) 29–37; doi:

data_1536333
_publ_section_title
;
 New phases in the systems Ca - Te - O and Cd - Te - O : the calcium
 tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2
 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              29
_journal_page_last               37
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Cd2 O7 Te2'
_chemical_name_systematic        'Cd2 (Te2 O7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.005
_cell_angle_beta                 78.843
_cell_angle_gamma                77.21
_cell_formula_units_Z            4
_cell_length_a                   7.4328
_cell_length_b                   8.3346
_cell_length_c                   9.9898
_cell_volume                     592.073
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Weil_SSSCFJ_2004_1011.cif
_cod_data_source_block           Cd2O7Te2
_cod_original_cell_volume        592.0726
_cod_database_code               1536333
Ueber Cs2 Zn Cu3 F10 und die Kristallstruktur von Cs7 Cu6 F19
Kaiser, V.; Babel, D.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 222–228; doi:

data_1536334
_publ_section_title
;
 Ueber Cs2 Zn Cu3 F10 und die Kristallstruktur von Cs7 Cu6 F19
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              222
_journal_page_last               228
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cs7 Cu6 F19'
_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                 99.05
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.593
_cell_length_b                   6.229
_cell_length_c                   11.76
_cell_volume                     1128.015
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kaiser_ZAACAB_2002_301.cif
_cod_data_source_block           Cs7Cu6F19
_cod_original_cell_volume        1128.016
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_database_code               1536334
Synthesis and structure of Ba K Fe O3: a new quaternary oxide with 1-D ferrate chains
Delattre, J.L.; Stacy, A.M.; Journal of Solid State Chemistry 172 (2003) 261–264; doi:

data_1536335
_publ_section_title
;
 Synthesis and structure of Ba K Fe O3: a new quaternary oxide with 1-D
 ferrate chains
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              261
_journal_page_last               264
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'Ba Fe K O3'
_chemical_name_systematic        'Ba K (Fe O3)'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.804
_cell_length_b                   11.528
_cell_length_c                   12.776
_cell_volume                     854.823
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Delattre_JSSCBI_2003_890.cif
_cod_data_source_block           Ba1Fe1K1O3
_cod_original_cell_volume        854.8231
_cod_original_formula_sum        'Ba1 Fe1 K1 O3'
_cod_database_code               1536335
Zr6 S Te2 - ein zirconiumreiches Sulfidtellurid mit einer (Zr3 Te)-Teilstruktur von (Re3 B)-Typ
Orlygsson, G.; Conrad, M.; Harbrecht, B.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1017–1022; doi:

data_1536336
_publ_section_title
;
 Zr6 S Te2 - ein zirconiumreiches Sulfidtellurid mit einer (Zr3
 Te)-Teilstruktur von (Re3 B)-Typ
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1017
_journal_page_last               1022
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'S1.09 Te2 Zr6'
_chemical_name_systematic        'Zr6 S1.09 Te2'
_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            2
_cell_length_a                   3.7781
_cell_length_b                   11.5642
_cell_length_c                   8.8796
_cell_volume                     387.956
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Orlygsson_ZAACAB_2001_72.cif
_cod_data_source_block           S1.09Te2Zr6
_cod_database_code               1536336
New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions
Weil, M.; Solid State Sciences 6 (2004) 29–37; doi:

data_1536337
_publ_section_title
;
 New phases in the systems Ca - Te - O and Cd - Te - O : the calcium
 tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2
 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              29
_journal_page_last               37
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Cd2 O9 Te3'
_chemical_name_systematic        'Cd2 (Te3 O9)'
_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                 122.914
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3039
_cell_length_b                   7.3196
_cell_length_c                   13.2479
_cell_volume                     757.379
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Weil_SSSCFJ_2004_1012.cif
_cod_data_source_block           Cd2O9Te3
_cod_original_cell_volume        757.3793
_cod_database_code               1536337
Structure of ten-layer orthorhombic Ba5 Fe5 O14 (Ba Fe O2.8) determined from single crystal x-ray diffraction
Delattre, J.L.; Stacy, A.M.; Siegrist, T.; Journal of Solid State Chemistry 177 (2004) 928–935; doi:

data_1536338
_publ_section_title
;
 Structure of ten-layer orthorhombic Ba5 Fe5 O14 (Ba Fe O2.8) determined
 from single crystal x-ray diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              928
_journal_page_last               935
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ba5 Fe5 O14'
_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                   5.7615
_cell_length_b                   9.9792
_cell_length_c                   24.347
_cell_volume                     1399.835
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Delattre_JSSCBI_2004_863.cif
_cod_data_source_block           Ba5Fe5O14
_cod_database_code               1536338
Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes
Ostuni, A.; Bachman, R.E.; Pope, M.T.; Journal of Cluster Science 14 (2003) 431–446; doi:

data_1536339
_publ_section_title
;
 Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M =
 U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the
 polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and
 alpha(2)alpha(2) complexes
;
_journal_name_full               'Journal of Cluster Science'
_journal_page_first              431
_journal_page_last               446
_journal_volume                  14
_journal_year                    2003
_chemical_formula_sum            'O171.293 P4 U W34'
_chemical_name_systematic        '(N H4)16 (U P4 W34 O122) (H2 O)49.293'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.549
_cell_angle_beta                 89.376
_cell_angle_gamma                86.523
_cell_formula_units_Z            2
_cell_length_a                   12.9746
_cell_length_b                   20.6879
_cell_length_c                   28.2091
_cell_volume                     7081.079
_citation_journal_id_ASTM        JCSCEB
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