LMucko/crystallography-open-database huggingface dataset:
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051433b

data_4300488
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051433b
_journal_year                    2006
_chemical_formula_moiety         'C42 H60 Co2 N8'
_chemical_formula_sum            'C42 H60 Co2 N8'
_chemical_formula_weight         794.84
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.999(2)
_cell_length_b                   20.750(2)
_cell_length_c                   21.876(2)
_cell_measurement_temperature    150(2)
_cell_volume                     8170(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.292
_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               4300488
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051433b

data_4300489
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051433b
_journal_year                    2006
_chemical_formula_sum            'C52 H80 K4 N8 O2.5'
_chemical_formula_weight         1013.64
_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                 102.2790(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.7200(11)
_cell_length_b                   26.586(2)
_cell_length_c                   15.6801(12)
_cell_measurement_temperature    150(2)
_cell_volume                     5995.9(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.123
_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_original_formula_sum        'C52 H80 K4 N8 O2.50'
_cod_database_code               4300489
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051433b

data_4300490
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051433b
_journal_year                    2006
_chemical_formula_moiety         'C42 H60 N8 Zn2'
_chemical_formula_sum            'C42 H60 N8 Zn2'
_chemical_formula_weight         807.72
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.940(3)
_cell_length_b                   20.849(3)
_cell_length_c                   21.870(3)
_cell_measurement_temperature    150(2)
_cell_volume                     8180(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.312
_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               4300490
Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.; Inorganic Chemistry  (2006) –; doi:10.1021/ic051443c

data_4300491
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051443c
_journal_year                    2006
_chemical_formula_moiety         'C32 H12 B F24, C12 H33 Mo P4 S2'
_chemical_formula_sum            'C44 H45 B F24 Mo P4 S2'
_chemical_formula_weight         1324.55
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.531(4)
_cell_length_b                   22.835(4)
_cell_length_c                   24.407(5)
_cell_measurement_temperature    193(2)
_cell_volume                     10885(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.617
_cod_database_code               4300491
Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.; Inorganic Chemistry  (2006) –; doi:10.1021/ic051443c

data_4300492
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051443c
_journal_year                    2006
_chemical_formula_moiety         'C12 H32 Mo P4 S2'
_chemical_formula_sum            'C12 H32 Mo P4 S2'
_chemical_formula_weight         460.32
_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                 92.733(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.215(6)
_cell_length_b                   12.385(5)
_cell_length_c                   13.228(6)
_cell_measurement_temperature    193(2)
_cell_volume                     2162.6(16)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.414
_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               4300492
Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.; Inorganic Chemistry  (2006) –; doi:10.1021/ic051443c

data_4300493
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051443c
_journal_year                    2006
_chemical_formula_moiety         'C12 H33 P4 S2 W, C H3 O3 S, C2 H3 N'
_chemical_formula_sum            'C15 H39 N O3 P4 S3 W'
_chemical_formula_weight         685.38
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.622(4)
_cell_length_b                   20.482(6)
_cell_length_c                   10.506(3)
_cell_measurement_temperature    193(2)
_cell_volume                     2716.0(14)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.676
_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_original_sg_symbol_Hall     '-P 2ac 2n '
_cod_database_code               4300493
Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.; Inorganic Chemistry  (2006) –; doi:10.1021/ic051443c

data_4300494
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051443c
_journal_year                    2006
_chemical_formula_moiety         'C13 H32 F3 Mo O3 P4 S2, C F3 O3 S'
_chemical_formula_sum            'C14 H32 F6 Mo O6 P4 S3'
_chemical_formula_weight         726.40
_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                 106.791(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.195(2)
_cell_length_b                   17.8704(19)
_cell_length_c                   17.7886(19)
_cell_measurement_temperature    193(2)
_cell_volume                     5841.8(11)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.652
_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               4300494
Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.; Inorganic Chemistry  (2006) –; doi:10.1021/ic051443c

data_4300495
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051443c
_journal_year                    2006
_chemical_formula_moiety         'C12 H32 Mo P4 Se2'
_chemical_formula_sum            'C12 H32 Mo P4 Se2'
_chemical_formula_weight         554.12
_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                 93.393(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.801(2)
_cell_length_b                   12.854(3)
_cell_length_c                   9.771(3)
_cell_measurement_temperature    193(2)
_cell_volume                     1103.4(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.668
_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 2yn '
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300495
Lee, Chi-Shen; Kuan-Chen, Wang; Inorganic Chemistry  (2006) –; doi:10.1021/ic051447h

data_4300496
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051447h
_journal_year                    2006
_chemical_formula_moiety         CuPb8In17S34
_chemical_formula_sum            'Cu In17 Pb8 S34'
_chemical_formula_weight         4763.04
_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                 94.377(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   12.664(3)
_cell_length_b                   3.8816(10)
_cell_length_c                   27.329(7)
_cell_measurement_temperature    298(2)
_cell_volume                     1339.4(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    5.905
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (79
times).

'_geom_bond_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (53 times).

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               4300496
Lee, Chi-Shen; Kuan-Chen, Wang; Inorganic Chemistry  (2006) –; doi:10.1021/ic051447h

data_4300497
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051447h
_journal_year                    2006
_chemical_formula_moiety         AgPb8In17S34
_chemical_formula_sum            'Ag In17 Pb8 S34'
_chemical_formula_weight         4807.37
_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                 94.36(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   12.657(3)
_cell_length_b                   3.8810(8)
_cell_length_c                   27.459(6)
_cell_measurement_temperature    571(2)
_cell_volume                     1344.9(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    5.935
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (77
times).

'_geom_bond_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (56 times).

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               4300497
Lee, Chi-Shen; Kuan-Chen, Wang; Inorganic Chemistry  (2006) –; doi:10.1021/ic051447h

data_4300498
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051447h
_journal_year                    2006
_chemical_formula_moiety         AuPb8In17S34
_chemical_formula_sum            'Au In17 Pb8 S34'
_chemical_formula_weight         4896.47
_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                 94.347(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   12.701(3)
_cell_length_b                   3.8794(9)
_cell_length_c                   27.359(6)
_cell_measurement_temperature    298(2)
_cell_volume                     1344.2(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    6.049
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (79
times).

'_geom_bond_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (40 times).

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               4300498
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0514492

data_4300499
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0514492
_journal_year                    2006
_chemical_formula_moiety         'C22 H32 Cu2 N12 S2, 4(C3 H7 N O), 2(F6 P)'
_chemical_formula_sum            'C34 H60 Cu2 F12 N16 O4 P2 S2'
_chemical_formula_weight         1238.10
_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                81.9198(7)
_cell_angle_beta                 70.6435(7)
_cell_angle_gamma                71.8461(5)
_cell_formula_units_Z            2
_cell_length_a                   12.5687(2)
_cell_length_b                   13.3575(2)
_cell_length_c                   17.8265(2)
_cell_measurement_temperature    150
_cell_volume                     2680.78(7)
_exptl_crystal_density_diffrn    1.534
_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               4300499
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0514492

data_4300500
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0514492
_journal_year                    2006
_chemical_formula_moiety         ' C11 H16 Cu1 N6 S1, 2(Cl O4) '
_chemical_formula_sum            'C11 H16 Cl2 Cu N6 O8 S'
_chemical_formula_weight         526.80
_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                79.2579(13)
_cell_angle_beta                 89.7935(14)
_cell_angle_gamma                82.8946(15)
_cell_formula_units_Z            2
_cell_length_a                   8.4190(3)
_cell_length_b                   9.3588(3)
_cell_length_c                   12.3341(5)
_cell_measurement_temperature    150
_cell_volume                     947.27(6)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.847
_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_original_formula_sum        ' C11 H16 Cl2 Cu1 N6 O8 S1 '
_cod_database_code               4300500
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0514492

data_4300501
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0514492
_journal_year                    2006
_chemical_formula_sum            'C21 H36 B Cu F4 N9 O5 S'
_chemical_formula_weight         677.00
_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                76.977(2)
_cell_angle_beta                 78.6660(10)
_cell_angle_gamma                70.355(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0484(7)
_cell_length_b                   11.5628(9)
_cell_length_c                   15.6099(13)
_cell_measurement_temperature    130(2)
_cell_volume                     1485.5(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.514
_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               4300501
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0514492

data_4300502
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0514492
_journal_year                    2006
_chemical_formula_moiety         'C12 H18 N6 O S Zn, C H4 O'
_chemical_formula_sum            'C13 H22 N6 O2 S Zn'
_chemical_formula_weight         391.80
_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                82.3634(14)
_cell_angle_beta                 86.8866(14)
_cell_angle_gamma                87.1226(16)
_cell_formula_units_Z            2
_cell_length_a                   7.4936(3)
_cell_length_b                   8.4255(3)
_cell_length_c                   13.4195(4)
_cell_measurement_temperature    150
_cell_volume                     837.73(5)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.553
_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               4300502
Alok ranjan paital; Prasant Kumar Nanda; Sunirban Das; Guillem Debashis Ray; Inorganic Chemistry  (2006) –; doi:

data_4300503
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_sum            'C88 H116 Cl4 Cu8 N16 O33'
_chemical_formula_weight         2576.09
_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                 96.189(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.275(2)
_cell_length_b                   15.2381(18)
_cell_length_c                   21.291(3)
_cell_measurement_temperature    298
_cell_volume                     5894.5(12)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    1.451
_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               4300503