LMucko/crystallography-open-database huggingface dataset:
Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0512531

data_4100478
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0512531
_journal_year                    2005
_chemical_formula_sum            'C142 H122 Cl8 Fe2 N4 O14'
_chemical_formula_weight         2503.74
_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                92.951(3)
_cell_angle_beta                 91.752(3)
_cell_angle_gamma                94.955(3)
_cell_formula_units_Z            2
_cell_length_a                   16.155(3)
_cell_length_b                   17.578(3)
_cell_length_c                   23.105(4)
_cell_measurement_temperature    173(2)
_cell_volume                     6524.2(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.275
_cod_database_code               4100478
Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0512531

data_4100479
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0512531
_journal_year                    2005
_chemical_formula_sum            'C95 H108 Fe4 N0 O19'
_chemical_formula_weight         1777.21
_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                 101.969(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.4220(10)
_cell_length_b                   14.7720(13)
_cell_length_c                   36.703(2)
_cell_measurement_temperature    173(2)
_cell_volume                     9240.4(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.277
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100479
Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051299u

data_4100480
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051299u
_journal_year                    2005
_chemical_formula_sum            'C83 H128 Cl2 N4 O17.33 Zn'
_chemical_formula_weight         1595.50
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   26.8150(15)
_cell_length_b                   26.8150(15)
_cell_length_c                   23.7356(18)
_cell_measurement_temperature    296(2)
_cell_volume                     14780.4(16)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.076
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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               4100480
Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051300p

data_4100481
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051300p
_journal_year                    2005
_chemical_formula_sum            'C32 H58 Ir N P2'
_chemical_formula_weight         710.93
_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                92.292(1)
_cell_angle_beta                 92.525(1)
_cell_angle_gamma                92.968(1)
_cell_formula_units_Z            4
_cell_length_a                   8.9046(5)
_cell_length_b                   17.4366(10)
_cell_length_c                   20.8837(12)
_cell_measurement_temperature    100(2)
_cell_volume                     3232.1(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.461
_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_sg_symbol_H-M      P-1
_cod_database_code               4100481
Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051300p

data_4100482
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051300p
_journal_year                    2005
_chemical_formula_sum            'C30 H56 Ir N P2'
_chemical_formula_weight         684.90
_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                 113.1280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3998(7)
_cell_length_b                   31.751(2)
_cell_length_c                   11.3603(8)
_cell_measurement_temperature    100(2)
_cell_volume                     3118.0(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.459
_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               4100482
Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051300p

data_4100483
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051300p
_journal_year                    2005
_chemical_formula_sum            'C28 H52 Ir N P2'
_chemical_formula_weight         656.85
_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                 123.311(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.2568(17)
_cell_length_b                   21.2282(16)
_cell_length_c                   14.2049(10)
_cell_measurement_temperature    100(2)
_cell_volume                     5860.7(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.489
_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 2/c'
_cod_database_code               4100483
Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051330s

data_4100484
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051330s
_journal_year                    2005
_chemical_formula_sum            'C12 H21 N O'
_chemical_formula_weight         195.30
_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                 102.679(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.3945(16)
_cell_length_b                   10.532(3)
_cell_length_c                   8.707(2)
_cell_measurement_temperature    193(2)
_cell_volume                     572.1(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.134
_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               4100484
Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex
M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer; Journal of the American Chemical Society  (2005) 15061–; doi:10.1021/ja051357b

data_4100485
_publ_section_title
;
Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired
Dicopper(II) Macrocyclic Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15061
_journal_paper_doi               10.1021/ja051357b
_journal_year                    2005
_chemical_formula_sum            'C38 H44 Cu2 N12 O14'
_chemical_formula_weight         1019.93
_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                 96.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.151(4)
_cell_length_b                   14.728(3)
_cell_length_c                   16.064(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4263(2)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.589
_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_original_formula_sum        'C38 H44 N12 Cu2 O14'
_cod_database_code               4100485
Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex
M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer; Journal of the American Chemical Society  (2005) 15061–; doi:10.1021/ja051357b

data_4100486
_publ_section_title
;
Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired
Dicopper(II) Macrocyclic Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15061
_journal_paper_doi               10.1021/ja051357b
_journal_year                    2005
_chemical_formula_sum            'C40 H48 B2 Cu2 F8 N8 O6'
_chemical_formula_weight         1037.56
_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                 94.41(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.323(5)
_cell_length_b                   13.178(7)
_cell_length_c                   31.61(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4287(4)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.607
_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.

'_atom_site_refinement_flags' value 'd' changed to 'D'
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               4100486
Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex
M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer; Journal of the American Chemical Society  (2005) 15061–; doi:10.1021/ja051357b

data_4100487
_publ_section_title
;
Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired
Dicopper(II) Macrocyclic Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15061
_journal_paper_doi               10.1021/ja051357b
_journal_year                    2005
_chemical_formula_sum            'C39 H48 Cu2 N11 O15 P'
_chemical_formula_weight         1068.93
_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                   14.5986(16)
_cell_length_b                   20.862(2)
_cell_length_c                   28.726(3)
_cell_measurement_temperature    100(2)
_cell_volume                     8748.7(16)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.623
_cod_database_code               4100487
Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex
M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer; Journal of the American Chemical Society  (2005) 15061–; doi:10.1021/ja051357b

data_4100488
_publ_section_title
;
Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired
Dicopper(II) Macrocyclic Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15061
_journal_paper_doi               10.1021/ja051357b
_journal_year                    2005
_chemical_formula_sum            'C44 H52 Cl3 Cu3 N11 O15'
_chemical_formula_weight         1271.94
_space_group_IT_number           62
_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                   18.8716(10)
_cell_length_b                   18.4126(9)
_cell_length_c                   14.8895(8)
_cell_measurement_temperature    173(2)
_cell_volume                     5173.7(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.633
_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               4100488
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051584d

data_4100489
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051584d
_journal_year                    2005
_chemical_absolute_configuration .
_chemical_formula_moiety         'C43 H34 Fe2 N2 O3 P2 S2'
_chemical_formula_sum            'C43 H34 Fe2 N2 O3 P2 S2'
_chemical_formula_weight         864.48
_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                 97.765(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.869(4)
_cell_length_b                   13.787(6)
_cell_length_c                   29.042(12)
_cell_measurement_temperature    193(2)
_cell_volume                     3915(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.467
_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               4100489
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051650b

data_4100490
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051650b
_journal_year                    2005
_chemical_formula_sum            'C20 H17 Br2 N3 O3'
_chemical_formula_weight         507.19
_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                   9.8843(3)
_cell_length_b                   12.8070(4)
_cell_length_c                   16.2460(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2056.55(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.638
_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               4100490
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051745d

data_4100491
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051745d
_journal_year                    2005
_chemical_formula_moiety         'C14 H18 O5'
_chemical_formula_sum            'C14 H18 O5'
_chemical_formula_weight         266.28
_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                 110.033(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3448(7)
_cell_length_b                   8.2704(7)
_cell_length_c                   10.2329(9)
_cell_measurement_temperature    173(2)
_cell_volume                     663.5(1)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.333
_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               4100491
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051745d

data_4100492
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051745d
_journal_year                    2005
_chemical_formula_moiety         'C14 H18 O5'
_chemical_formula_sum            'C14 H18 O5'
_chemical_formula_weight         266.28
_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                 92.450(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5029(7)
_cell_length_b                   16.5521(14)
_cell_length_c                   9.2757(8)
_cell_measurement_temperature    173(2)
_cell_volume                     1304.3(2)
_diffrn_ambient_temperature      173(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/c'
_cod_database_code               4100492
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051745d

data_4100493
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051745d
_journal_year                    2005
_chemical_formula_moiety         'C12 H16 O4'
_chemical_formula_sum            'C12 H16 O4'
_chemical_formula_weight         224.25
_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                 101.755(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.631(3)
_cell_length_b                   6.5388(17)
_cell_length_c                   15.525(4)
_cell_measurement_temperature    173(2)
_cell_volume                     1056.5(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.410
_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               4100493