LMucko/crystallography-open-database huggingface dataset:
Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands
Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki; Journal of the American Chemical Society 127 (2005) 7294–7295; doi:10.1021/ja051054h

data_4100166
_publ_section_title
;
 Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex
 Bearing N-Heterocyclic Carbene Ligands
;
_journal_coden_ASTM              JACSAT
_journal_issue                   20
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7294
_journal_page_last               7295
_journal_paper_doi               10.1021/ja051054h
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C100 H102 N4 O3 Pd'
_chemical_formula_weight         1514.26
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000(9)
_cell_angle_beta                 114.6495(11)
_cell_angle_gamma                90.0000(9)
_cell_formula_units_Z            8
_cell_length_a                   34.854(4)
_cell_length_b                   17.0305(11)
_cell_length_c                   30.778(3)
_cell_measurement_temperature    100(2)
_cell_volume                     16605(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.211
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4100166
Persistent (Amino)(Silyl)Carbenes
Yves. Canac, Salvador. Conejero; Bruno Donnadieu, Guy. Bertrand; Wolfang. W. Schoeller; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051109f

data_4100167
_publ_section_title
;
Persistent (Amino)(Silyl)Carbenes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051109f
_journal_year                    2005
_chemical_formula_sum            'C31 H45 Cl N Rh Si'
_chemical_formula_weight         598.13
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.821(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6977(10)
_cell_length_b                   17.3256(17)
_cell_length_c                   16.045(2)
_cell_measurement_temperature    100(2)
_cell_volume                     2958.5(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.343
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4100167
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051109f

data_4100168
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051109f
_journal_year                    2005
_chemical_formula_sum            'C50 H66 Cl2 N2 O4 Rh2 Si2'
_chemical_formula_weight         1091.95
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.045(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.920(14)
_cell_length_b                   19.249(15)
_cell_length_c                   17.148(13)
_cell_measurement_temperature    253(2)
_cell_volume                     5310(7)
_diffrn_ambient_temperature      253(2)
_exptl_crystal_density_diffrn    1.366
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100168
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051486s

data_4100169
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051486s
_journal_year                    2005
_chemical_formula_sum            'C30 H31 Cl N2 O2 Ru S'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.570(3)
_cell_length_b                   17.252(4)
_cell_length_c                   25.295(6)
_cell_measurement_temperature    180(2)
_cell_volume                     5486(2)
_diffrn_ambient_temperature      180(2)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4100169
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050521s

data_4100170
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050521s
_journal_year                    2005
_chemical_formula_sum            'C44 H62 Al N2 O2 Yb'
_chemical_formula_weight         850.98
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.06(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.812(1)
_cell_length_b                   37.845(2)
_cell_length_c                   12.032(1)
_cell_measurement_temperature    100(2)
_cell_volume                     3982(1)
_exptl_crystal_density_diffrn    1.419
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100170
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050521s

data_4100171
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050521s
_journal_year                    2005
_chemical_formula_sum            'C44 H62 Al Er N2 O2'
_chemical_formula_weight         845.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.07(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.850(1)
_cell_length_b                   37.991(5)
_cell_length_c                   12.072(3)
_cell_measurement_temperature    133(2)
_cell_volume                     4028(1)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.394
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100171
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050521s

data_4100172
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050521s
_journal_year                    2005
_chemical_formula_sum            'C44 H62 Al Dy N2 O2'
_chemical_formula_weight         840.44
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.17(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.854(1)
_cell_length_b                   37.975(2)
_cell_length_c                   12.106(1)
_cell_measurement_temperature    133(2)
_cell_volume                     4039(1)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.382
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100172
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050521s

data_4100173
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050521s
_journal_year                    2005
_chemical_formula_sum            'C54 H70 Al N2 O Yb'
_chemical_formula_weight         963.14
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.36(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.130(2)
_cell_length_b                   12.498(3)
_cell_length_c                   42.211(8)
_cell_measurement_temperature    133(2)
_cell_volume                     4808(2)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.330
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100173
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050521s

data_4100174
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050521s
_journal_year                    2005
_chemical_formula_sum            'C45 H60 Al Dy N2 O'
_chemical_formula_weight         834.43
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.43(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.188(2)
_cell_length_b                   19.669(4)
_cell_length_c                   10.536(2)
_cell_measurement_temperature    133(2)
_cell_volume                     1991(1)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.392
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4100174
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050521s

data_4100175
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050521s
_journal_year                    2005
_chemical_formula_sum            'C45 H60 Al N2 O Sm'
_chemical_formula_weight         822.28
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.37(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.214(1)
_cell_length_b                   19.606(1)
_cell_length_c                   10.556(1)
_cell_measurement_temperature    100(2)
_cell_volume                     1994(1)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.369
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4100175
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050521s

data_4100176
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050521s
_journal_year                    2005
_chemical_formula_sum            'C26 H38 O2 Sn2 Yb2'
_chemical_formula_weight         966.02
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.53(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.288(2)
_cell_length_b                   16.180(6)
_cell_length_c                   10.394(2)
_cell_measurement_temperature    133(2)
_cell_volume                     1378(1)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    2.327
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100176
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050521s

data_4100177
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050521s
_journal_year                    2005
_chemical_formula_sum            'C42 H58 N2 Yb'
_chemical_formula_weight         763.94
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.17(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.326(2)
_cell_length_b                   9.565(1)
_cell_length_c                   23.801(4)
_cell_measurement_temperature    133(2)
_cell_volume                     3707(1)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.369
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100177
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050521s

data_4100178
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050521s
_journal_year                    2005
_chemical_formula_sum            'C35 H59 Cl N3 Si2 Yb'
_chemical_formula_weight         786.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.48(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.120(3)
_cell_length_b                   18.184(4)
_cell_length_c                   12.887(3)
_cell_measurement_temperature    133(2)
_cell_volume                     3884(1)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.345
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100178
Crystal structure of compound 7
Marta E. G. Mosquera; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042879e

data_4100179
_publ_section_title
;
Crystal structure of compound 7
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042879e
_journal_year                    2005
_chemical_formula_sum            'C40 H35 B Cl4 F4 Mn N O4 P2'
_chemical_formula_weight         939.18
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0401(10)
_cell_length_b                   15.2369(19)
_cell_length_c                   25.000(2)
_cell_measurement_temperature    150(2)
_cell_volume                     4205.5(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.483
_cod_database_code               4100179
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0422209

data_4100180
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0422209
_journal_year                    2005
_chemical_formula_sum            'C40 H100 Cl N5 O36 V14'
_chemical_formula_weight         1975.86
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.315(6)
_cell_length_b                   13.850(4)
_cell_length_c                   21.742(6)
_cell_measurement_temperature    173(2)
_cell_volume                     7322(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.792
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Orthorhombic'' was replaced with
'orthorhombic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4100180
N'-(6-Acetyl-3-methyl-5-phenylcyclohex-2-enyl)-N'-methanesulfonyl- hydrazinedicarboxylic Acid Diallyl Ester
Sammis, Glenn M.; .; Ho, Douglas M.; Sorensen, Erik J.; .; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052383c

data_4100181
_publ_section_title
;
N'-(6-Acetyl-3-methyl-5-phenylcyclohex-2-enyl)-N'-methanesulfonyl-
hydrazinedicarboxylic Acid Diallyl Ester
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052383c
_journal_year                    2005
_chemical_formula_iupac          'C23 H28 N2 O7 S'
_chemical_formula_moiety         'C23 H28 N2 O7 S'
_chemical_formula_structural     'C23 H28 N2 O7 S'
_chemical_formula_sum            'C23 H28 N2 O7 S'
_chemical_formula_weight         476.53
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.263(2)
_cell_angle_beta                 67.540(2)
_cell_angle_gamma                80.873(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9186(6)
_cell_length_b                   11.3368(6)
_cell_length_c                   11.9916(6)
_cell_measurement_temperature    200(2)
_cell_volume                     1228.66(12)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.288
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4100181
Crystal Structures, Electronic Properties and Presure Induced Superconductivity of the Tetrahedral Cluster Compounds GaNb4S8, GaNb4Se8 and GaTa4Se8
Pocha, R.; Johrendt, D.; Ni, B.; Abd.Elmeguid, M.M.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050243x

data_4100182
_publ_section_title
;
Crystal Structures, Electronic Properties and Presure Induced
Superconductivity of the Tetrahedral
Cluster Compounds GaNb4S8, GaNb4Se8 and GaTa4Se8
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050243x
_journal_year                    2005
_chemical_formula_moiety         'Ga Ta4 Se8'
_chemical_formula_sum            'Ga4 Se32 Ta16'
_chemical_formula_weight         5700.8
_space_group_IT_number           216
_space_group_name_Hall           'F -4 2 3'
_space_group_name_H-M_alt        'F -4 3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90.000(9)
_cell_angle_beta                 90.000(9)
_cell_angle_gamma                90.000(9)
_cell_formula_units_Z            1
_cell_length_a                   10.3580(10)
_cell_length_b                   10.3580(10)
_cell_length_c                   10.3580(10)
_cell_measurement_temperature    293
_cell_volume                     1111.3(3)
_exptl_crystal_density_diffrn    8.518
_cod_original_sg_symbol_Hall     f_-4_2_3
_cod_database_code               4100182