LMucko/crystallography-open-database huggingface dataset:
Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera; Journal of the American Chemical Society  (2005) –; doi:

data_4100866
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C46.25 H52 Cl2 F36 Ir2 O12 P6'
_chemical_formula_weight         2125.00
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.330(2)
_cell_angle_beta                 102.312(2)
_cell_angle_gamma                90.810(2)
_cell_formula_units_Z            4
_cell_length_a                   12.2242(12)
_cell_length_b                   21.880(2)
_cell_length_c                   27.148(3)
_cell_measurement_temperature    100(2)
_cell_volume                     7090.9(12)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.991
_exptl_crystal_density_meas      0
_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               4100866
Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera; Journal of the American Chemical Society  (2005) –; doi:

data_4100867
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C39 H42 Cl2 F36 Ir2 O12 P6'
_chemical_formula_weight         2027.85
_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                 110.416(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.408(2)
_cell_length_b                   17.8402(16)
_cell_length_c                   15.7183(14)
_cell_measurement_temperature    100(2)
_cell_volume                     6414.5(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.100
_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               4100867
Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera; Journal of the American Chemical Society  (2005) –; doi:

data_4100868
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C35 H46 Cl3 F36 N O12 P6 Rh2'
_chemical_formula_weight         1854.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.279(3)
_cell_angle_beta                 94.226(3)
_cell_angle_gamma                104.932(3)
_cell_formula_units_Z            4
_cell_length_a                   16.226(2)
_cell_length_b                   19.218(3)
_cell_length_c                   24.237(3)
_cell_measurement_temperature    150(2)
_cell_volume                     6738.3(16)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.828
_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               4100868
Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera; Journal of the American Chemical Society  (2005) –; doi:

data_4100869
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C8 H18 Cl2 F12 N4 P6 Rh2'
_chemical_formula_weight         860.80
_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                 92.084(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6730(13)
_cell_length_b                   9.1275(12)
_cell_length_c                   29.259(4)
_cell_measurement_temperature    273(2)
_cell_volume                     2581.6(6)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    2.215
_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               4100869
Wilson, Scott R.; Prussak-Wieckowska, Teresa; Journal of the American Chemical Society  (2005) –; doi:

data_4100870
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C21 H28 N6 O9'
_chemical_formula_sum            'C21 H28 N6 O9'
_chemical_formula_weight         508.49
_space_group_IT_number           169
_space_group_name_Hall           'P 61'
_space_group_name_H-M_alt        'P 61'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   13.3588(16)
_cell_length_b                   13.3588(16)
_cell_length_c                   31.219(8)
_cell_measurement_temperature    193(2)
_cell_volume                     4824.8(14)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.050
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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_Hall     'P 61 '
_cod_database_code               4100870
Wilson, Scott R.; Prussak-Wieckowska, Teresa; Journal of the American Chemical Society  (2005) –; doi:

data_4100871
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C12 H29 Co3 K O24'
_chemical_formula_weight         773.24
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.9064(4)
_cell_length_b                   12.9064(4)
_cell_length_c                   30.2416(15)
_cell_measurement_temperature    293(2)
_cell_volume                     5037.5(3)
_diffrn_ambient_temperature      130(2)
_exptl_crystal_density_diffrn    2.039
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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               4100871
Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas; Journal of the American Chemical Society  (2005) –; doi:

data_4100872
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C12 H17 N5 O6'
_chemical_formula_weight         327.31
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.172(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.1470(4)
_cell_length_b                   11.4061(7)
_cell_length_c                   20.3654(16)
_cell_measurement_temperature    200(2)
_cell_volume                     1425.70(17)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.525
_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'
_cod_database_code               4100872
Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas; Journal of the American Chemical Society  (2005) –; doi:

data_4100873
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C105 H74 Cl4 Fe N2 Na O10.5'
_chemical_formula_weight         1752.30
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.58(3)
_cell_angle_beta                 114.69(3)
_cell_angle_gamma                100.46(3)
_cell_formula_units_Z            2
_cell_length_a                   16.497(3)
_cell_length_b                   17.251(4)
_cell_length_c                   17.531(4)
_cell_measurement_temperature    173(2)
_cell_volume                     4265.5(20)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.364
_cod_original_formula_sum        'C105 H74 Cl4 Fe N2 Na O10.50'
_cod_database_code               4100873
Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas; Journal of the American Chemical Society  (2005) –; doi:

data_4100874
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C105 H71 Cl8 Fe N2 Na O10'
_chemical_formula_weight         1883.08
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.0980(10)
_cell_angle_beta                 72.4530(10)
_cell_angle_gamma                76.4360(10)
_cell_formula_units_Z            2
_cell_length_a                   16.5031(7)
_cell_length_b                   16.7301(7)
_cell_length_c                   17.3222(8)
_cell_measurement_temperature    173(2)
_cell_volume                     4358.1(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.435
_cod_database_code               4100874
Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas; Journal of the American Chemical Society  (2005) –; doi:

data_4100875
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C60 H53 B F4 P2 Ru'
_chemical_formula_weight         1023.84
_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                 106.1700(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3577(2)
_cell_length_b                   21.2622(4)
_cell_length_c                   19.8755(3)
_cell_measurement_temperature    295(2)
_cell_volume                     5015.73(15)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.356
_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               4100875
Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas; Journal of the American Chemical Society  (2005) –; doi:

data_4100876
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C7 H4 F3 N3 O3 S3 Se2'
_chemical_formula_sum            'C7 H4 F3 N3 O3 S3 Se2'
_chemical_formula_weight         489.23
_chemical_melting_point          250
_chemical_name_common            '[HBPTSMe][OTf]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                102.354(4)
_cell_angle_beta                 98.757(4)
_cell_angle_gamma                110.608(4)
_cell_formula_units_Z            2
_cell_length_a                   7.227(2)
_cell_length_b                   8.653(2)
_cell_length_c                   12.729(3)
_cell_measurement_temperature    295(2)
_cell_volume                     704.9(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    2.305
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07
;
_cod_database_code               4100876
Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas; Journal of the American Chemical Society  (2005) –; doi:

data_4100877
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C12 H8 N6 S4 Se4'
_chemical_formula_sum            'C12 H8 N6 S4 Se4'
_chemical_formula_weight         680.32
_chemical_melting_point          250
_chemical_name_common            '[HBPTSMe]'
_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                 94.563(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.924(4)
_cell_length_b                   12.616(11)
_cell_length_c                   15.086(13)
_cell_measurement_temperature    295(2)
_cell_volume                     934.1(14)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    2.419
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100877
The electron density of bridging hydrides observed via experimental and theoretical investigations on [Cr2(m-H)(CO)10]-
Piero Macchi; Daniela Donghi; Angelo Sironi; Journal of the American Chemical Society  (2005) –; doi:

data_4100878
_publ_section_title
;
The electron density of bridging hydrides observed
via experimental and theoretical investigations
on [Cr2(m-H)(CO)10]-
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C10 H1 O10 Cr2, C18 H36 O6 N2 K1'
_chemical_formula_sum            'C28 H37 Cr2 K N2 O16'
_chemical_formula_weight         800.69
_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
_cell_angle_beta                 97.264
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.458
_cell_length_b                   14.4168
_cell_length_c                   23.8824
_cell_measurement_temperature    28(1)
_cell_volume                     3571.9(2)
_diffrn_ambient_temperature      28(2)
_exptl_crystal_density_diffrn    1.489
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C28 H37 N2 O16 K1 Cr2'
_cod_database_code               4100878
Magnetic Properties and Crystal Structure of a One-dimensional Phase of Tetrakis(μ~2~-benzoato-O,O'-bis(dimethylsulfoxide)-di-copper(II)
Reyes-Ortega, Yasmi; Alcántara-Flores, José L.; Hernández-Galindo, María C.; Ramírez-Rosales, Daniel; Bernès, Sylvain; Ramírez-García, Juán C.; Zamorano-Ulloa, Rafael; Escudero, Roberto; Journal of the American Chemical Society  (2005) –; doi:

data_4100879
_publ_section_title
;
Magnetic Properties and Crystal Structure of a One-dimensional Phase of
Tetrakis(\m~2~-benzoato-O,O'-bis(dimethylsulfoxide)-di-copper(II)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C32 H32 Cu2 O10 S2'
_chemical_formula_sum            'C32 H32 Cu2 O10 S2'
_chemical_formula_weight         767.78
_chemical_melting_point          541
_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                 103.062(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0407(9)
_cell_length_b                   17.0916(13)
_cell_length_c                   17.2680(15)
_cell_measurement_temperature    296(1)
_cell_volume                     3461.7(5)
_diffrn_ambient_temperature      296(1)
_exptl_crystal_density_diffrn    1.473
_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               4100879
g21ca
van der Vlugt, Jarl Ivar; Rauchfuss, Thomas B.; Wilson, Scott R.; Journal of the American Chemical Society  (2005) –; doi:

data_4100880
_publ_section_title
;
 g21ca
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C16 H41 Fe2 O2 P4 S2, F6 P'
_chemical_formula_sum            'C16 H41 F6 Fe2 O2 P5 S2'
_chemical_formula_weight         710.16
_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                 90.526(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.743(5)
_cell_length_b                   10.900(4)
_cell_length_c                   19.025(7)
_cell_measurement_temperature    193(2)
_cell_volume                     3057.2(18)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_id                g21ca
_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_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100880
g27ca
van der Vlugt, Jarl Ivar; Rauchfuss, Thomas B.; Wilson, Scott R.; Journal of the American Chemical Society  (2005) –; doi:

data_4100881
_publ_section_title
;
 g27ca
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety
;
C14 H32 Fe2 O3 P3 S2, F6 P
;
_chemical_formula_sum            'C14 H32 F6 Fe2 O3 P4 S2'
_chemical_formula_weight         662.10
_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                 110.333(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.839(5)
_cell_length_b                   18.496(8)
_cell_length_c                   14.483(6)
_cell_measurement_temperature    223(2)
_cell_volume                     2723(2)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.615
_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               4100881
Wilson, Scott R.; Prussak-Wieckowska, Teresa; Journal of the American Chemical Society  (2005) –; doi:

data_4100882
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration .
_chemical_formula_moiety
;
2(C16 H41 Fe2 O2 P4 S2), 2(F6 P), 3(C2 H3 N)
;
_chemical_formula_sum            'C38 H91 F12 Fe4 N3 O4 P10 S4'
_chemical_formula_weight         1543.48
_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                90.00
_cell_angle_beta                 109.218(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.1943(11)
_cell_length_b                   17.1237(6)
_cell_length_c                   25.3979(9)
_cell_measurement_temperature    193(2)
_cell_volume                     13631.9(8)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.504
_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_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4100882