LMucko/crystallography-open-database huggingface dataset:
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052081a

data_4100513
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052081a
_journal_year                    2005
_chemical_formula_sum            'C52 H60 Co N12 O12 S'
_chemical_formula_weight         1136.11
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.070(3)
_cell_length_b                   18.070(3)
_cell_length_c                   8.0756(16)
_cell_measurement_temperature    120(2)
_cell_volume                     2636.9(7)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.431
_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_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               4100513
; Journal of the American Chemical Society  (2005) –; doi:

data_4100514
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C52 H60 N12 Ni O12 S'
_chemical_formula_weight         1135.89
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.028(3)
_cell_length_b                   18.028(3)
_cell_length_c                   8.1143(16)
_cell_measurement_temperature    120(2)
_cell_volume                     2637.3(7)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.430
_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_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               4100514
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052081a

data_4100515
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052081a
_journal_year                    2005
_chemical_formula_sum            'C52 H60 Cu N12 O12 S'
_chemical_formula_weight         1140.72
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.846(3)
_cell_length_b                   17.846(3)
_cell_length_c                   8.3019(17)
_cell_measurement_temperature    120(2)
_cell_volume                     2644.0(8)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.433
_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_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               4100515
; Journal of the American Chemical Society  (2005) –; doi:

data_4100516
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C52 H60 N12 O12 S Zn'
_chemical_formula_weight         1142.55
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.0760(5)
_cell_length_b                   18.0760(5)
_cell_length_c                   8.1208(3)
_cell_measurement_temperature    120(2)
_cell_volume                     2653.41(14)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.430
_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_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               4100516
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052151d

data_4100517
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052151d
_journal_year                    2005
_chemical_formula_sum            'C48 H54 N2 O7 S Si'
_chemical_formula_weight         831.08
_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            4
_cell_length_a                   8.8381(10)
_cell_length_b                   18.5394(19)
_cell_length_c                   26.865(3)
_cell_measurement_temperature    193(2)
_cell_volume                     4401.9(8)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.254
_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               4100517
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052381s

data_4100518
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052381s
_journal_year                    2005
_chemical_formula_moiety         'C76 H109 Fe3 N2 Ni O1.50 P S13'
_chemical_formula_sum            'C76 H109 Fe3 N2 Ni O1.5 P S13'
_chemical_formula_weight         1748.66
_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                 95.832(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.301(2)
_cell_length_b                   20.044(3)
_cell_length_c                   27.789(4)
_cell_measurement_temperature    193(2)
_cell_volume                     9033(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.286
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C76 H109 Fe3 N2 Ni O1.50 P S13'
_cod_database_code               4100518
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052381s

data_4100519
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052381s
_journal_year                    2005
_chemical_formula_moiety         'C76.5 H101.25 Fe3 N3.25 O0.25 P2 Pd1 S13'
_chemical_formula_sum            'C76.5 H101.25 Fe3 N3.25 O0.25 P2 Pd S13'
_chemical_formula_weight         1835
_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                78.380(19)
_cell_angle_beta                 88.961(11)
_cell_angle_gamma                81.981(13)
_cell_formula_units_Z            4
_cell_length_a                   18.258(3)
_cell_length_b                   18.942(4)
_cell_length_c                   27.283(4)
_cell_measurement_temperature    193(2)
_cell_volume                     9152(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.323
_cod_original_formula_sum        'C76.5 H101.25 Fe3 N3.25 O0.25 P2 Pd1 S13'
_cod_database_code               4100519
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052381s

data_4100520
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052381s
_journal_year                    2005
_chemical_formula_moiety         'C76 H111.5 Fe3 N3.5 P2 Pt S13'
_chemical_formula_sum            'C76 H111.5 Fe3 N3.5 P2 Pt S13'
_chemical_formula_weight         1916
_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                78.797(14)
_cell_angle_beta                 89.16(4)
_cell_angle_gamma                81.827(16)
_cell_formula_units_Z            4
_cell_length_a                   18.256(4)
_cell_length_b                   19.011(5)
_cell_length_c                   27.376(8)
_cell_measurement_temperature    193(2)
_cell_volume                     9225(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.370
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4100520
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052381s

data_4100521
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052381s
_journal_year                    2005
_chemical_formula_moiety         'C75 H101 Fe4 N5 S14'
_chemical_formula_sum            'C75 H101 Fe4 N5 S14'
_chemical_formula_weight         1744.85
_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                 111.899(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.945(4)
_cell_length_b                   34.261(6)
_cell_length_c                   22.480(4)
_cell_measurement_temperature    193(2)
_cell_volume                     17111(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.354
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100521
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052381s

data_4100522
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052381s
_journal_year                    2005
_chemical_formula_moiety         'C82 H100.50 Fe4 N2.50 O P S14'
_chemical_formula_sum            'C82 H100.5 Fe4 N2.5 O P S14'
_chemical_formula_weight         1840.36
_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                87.695(4)
_cell_angle_beta                 83.999(4)
_cell_angle_gamma                62.947(4)
_cell_formula_units_Z            2
_cell_length_a                   12.847(3)
_cell_length_b                   13.073(3)
_cell_length_c                   29.484(6)
_cell_measurement_temperature    193(2)
_cell_volume                     4385.6(16)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.394
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C82 H100.50 Fe4 N2.50 O P S14'
_cod_database_code               4100522
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0527370

data_4100523
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0527370
_journal_year                    2005
_chemical_formula_sum            'C15 H10 B F4 Mn O3'
_chemical_formula_weight         379.98
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n 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                   9.320(2)
_cell_length_b                   19.380(4)
_cell_length_c                   8.0960(18)
_cell_measurement_temperature    100(2)
_cell_volume                     1462.3(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.726
_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               4100523
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0527370

data_4100524
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0527370
_journal_year                    2005
_chemical_formula_sum            'C21 H16 Mn2 O5'
_chemical_formula_weight         458.22
_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                 90.289(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6434(14)
_cell_length_b                   15.0779(17)
_cell_length_c                   12.3093(19)
_cell_measurement_temperature    293(2)
_cell_volume                     1789.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.701
_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               4100524
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0527370

data_4100525
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0527370
_journal_year                    2005
_chemical_formula_sum            'C17 H12 Mn2 O5'
_chemical_formula_weight         406.15
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.956(3)
_cell_length_b                   7.105(2)
_cell_length_c                   8.327(2)
_cell_measurement_temperature    298(2)
_cell_volume                     766.6(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.760
_refine_ls_R_factor_obs          0.0489
_refine_ls_wR_factor_obs         0.1250
_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               4100525
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0527370

data_4100526
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0527370
_journal_year                    2005
_chemical_formula_sum            'C18 H13 Fe Mn O3'
_chemical_formula_weight         388.07
_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                 90.785(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.4875(11)
_cell_length_b                   11.8536(12)
_cell_length_c                   17.787(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1578.5(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.633
_refine_ls_R_factor_obs          0.0475
_refine_ls_wR_factor_obs         0.0973
_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               4100526
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0527370

data_4100527
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0527370
_journal_year                    2005
_chemical_formula_sum            'C18 H12 Mn2 O6'
_chemical_formula_weight         434.16
_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                 102.15(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.412(3)
_cell_length_b                   8.070(3)
_cell_length_c                   17.780(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1741.0(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.656
_refine_ls_R_factor_obs          0.0534
_refine_ls_wR_factor_obs         0.1204
_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               4100527
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0527370

data_4100528
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0527370
_journal_year                    2005
_chemical_formula_sum            'C23 H27 Mn2 O8 P'
_chemical_formula_weight         572.30
_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                90.064(13)
_cell_angle_beta                 93.306(10)
_cell_angle_gamma                111.463(10)
_cell_formula_units_Z            2
_cell_length_a                   8.4388(10)
_cell_length_b                   10.3101(15)
_cell_length_c                   15.789(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1276.0(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.490
_refine_ls_R_factor_obs          0.0501
_refine_ls_wR_factor_obs         0.1236
_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               4100528
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0527370

data_4100529
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0527370
_journal_year                    2005
_chemical_formula_sum            'C15 H8 B F4 Mn O3'
_chemical_formula_weight         377.96
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n 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                   17.4257(10)
_cell_length_b                   7.8816(5)
_cell_length_c                   11.0119(6)
_cell_measurement_temperature    298(2)
_cell_volume                     1512.40(15)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_meas      0
_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               4100529
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0527370

data_4100530
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0527370
_journal_year                    2005
_chemical_formula_sum            'C38 H20 B2 F8 Mn2 O6'
_chemical_formula_weight         856.04
_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                 98.4740(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5826(7)
_cell_length_b                   18.6465(12)
_cell_length_c                   17.0073(11)
_cell_measurement_temperature    100(2)
_cell_volume                     3319.4(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.713
_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               4100530