LMucko/crystallography-open-database huggingface dataset:
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050243x

data_4100183
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050243x
_journal_year                    2005
_chemical_formula_moiety         'Ga Nb4 S8'
_chemical_formula_sum            'Ga4 Nb16 S32'
_chemical_formula_weight         2791.36
_space_group_IT_number           216
_space_group_name_Hall           'F -4 2 3'
_space_group_name_H-M_alt        'F -4 3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90.000(9)
_cell_angle_beta                 90.000(9)
_cell_angle_gamma                90.000(9)
_cell_formula_units_Z            1
_cell_length_a                   9.985(2)
_cell_length_b                   9.985(2)
_cell_length_c                   9.985(2)
_cell_measurement_temperature    293
_cell_volume                     995.5(6)
_exptl_crystal_density_diffrn    4.656
_cod_original_sg_symbol_Hall     f_-4_2_3
_cod_database_code               4100183
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051576x

data_4100184
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051576x
_journal_year                    2005
_chemical_formula_moiety         '2(C37 H25 Cl O2 Ru), C Cl2'
_chemical_formula_sum            'C75 H50 Cl4 O4 Ru2'
_chemical_formula_weight         1359.09
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.680(3)
_cell_angle_beta                 100.168(3)
_cell_angle_gamma                107.999(2)
_cell_formula_units_Z            2
_cell_length_a                   12.6109(5)
_cell_length_b                   13.6479(4)
_cell_length_c                   20.6566(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3182.3(2)
_exptl_crystal_density_diffrn    1.418
_cod_database_code               4100184
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051576x

data_4100185
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051576x
_journal_year                    2005
_chemical_formula_moiety         'C37 H25 I1 O2 Ru1'
_chemical_formula_sum            'C37 H25 I O2 Ru'
_chemical_formula_weight         729.54
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.890(3)
_cell_angle_beta                 90.896(4)
_cell_angle_gamma                97.498(3)
_cell_formula_units_Z            2
_cell_length_a                   7.9216(4)
_cell_length_b                   10.1467(4)
_cell_length_c                   19.4333(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1519.46(12)
_exptl_crystal_density_diffrn    1.595
_cod_database_code               4100185
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051576x

data_4100186
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051576x
_journal_year                    2005
_chemical_formula_moiety         'C37 H26 O2 Ru1'
_chemical_formula_sum            'C37 H26 O2 Ru'
_chemical_formula_weight         603.65
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.8174(16)
_cell_length_b                   20.133(5)
_cell_length_c                   20.818(2)
_cell_measurement_temperature    293(2)
_cell_volume                     5791.3(17)
_exptl_crystal_density_diffrn    1.385
_cod_database_code               4100186
Javier Garin; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051819l

data_4100187
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051819l
_journal_year                    2005
_chemical_formula_moiety         'C22 H26 N2 S4'
_chemical_formula_sum            'C22 H26 N2 S4'
_chemical_formula_weight         446.69
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.940(10)
_cell_angle_beta                 93.890(10)
_cell_angle_gamma                104.080(10)
_cell_formula_units_Z            2
_cell_length_a                   7.4716(8)
_cell_length_b                   8.1330(10)
_cell_length_c                   20.356(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1181.7(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.255
_cod_database_code               4100187
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0509984

data_4100188
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0509984
_journal_year                    2005
_chemical_formula_sum            'C27 H24 Br O6'
_chemical_formula_weight         524.37
_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                99.007(2)
_cell_angle_beta                 91.117(2)
_cell_angle_gamma                97.868(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2219(8)
_cell_length_b                   9.2783(9)
_cell_length_c                   15.7089(15)
_cell_measurement_temperature    296(2)
_cell_volume                     1171.4(2)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.487
_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               4100188
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0509984

data_4100189
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0509984
_journal_year                    2005
_chemical_formula_sum            'C33 H35 Br O6'
_chemical_formula_weight         607.52
_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                88.043(3)
_cell_angle_beta                 81.558(3)
_cell_angle_gamma                69.923(2)
_cell_formula_units_Z            2
_cell_length_a                   7.7032(11)
_cell_length_b                   10.0741(14)
_cell_length_c                   20.765(3)
_cell_measurement_temperature    296(2)
_cell_volume                     1496.9(4)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.348
_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               4100189
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052587t

data_4100190
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052587t
_journal_year                    2005
_chemical_formula_moiety         '3(C24 H20 O8 Si), 10(C3 H6 O2)'
_chemical_formula_sum            'C102 H120 O44 Si3'
_chemical_formula_weight         2134.25
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.926(4)
_cell_length_b                   16.926(4)
_cell_length_c                   38.794(16)
_cell_measurement_temperature    220(2)
_cell_volume                     11114(6)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.276
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' 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      'I 41/a'
_cod_database_code               4100190
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052587t

data_4100191
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052587t
_journal_year                    2005
_chemical_formula_moiety         'C24 H20 O8 SI, 2(C5 H8 O2)'
_chemical_formula_sum            'C34 H36 O12 Si'
_chemical_formula_weight         664.72
_space_group_IT_number           122
_space_group_name_Hall           'I -4 2bw'
_space_group_name_H-M_alt        'I -4 2 d'
_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            12
_cell_length_a                   16.994(7)
_cell_length_b                   16.994(7)
_cell_length_c                   37.344(6)
_cell_measurement_temperature    220(2)
_cell_volume                     10785(7)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.228
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (32 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

2022-02-21
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_moiety     '3(C24 H20 O8 SI), 6(C5 H8 O2)'
_cod_original_formula_sum        'C102 H108 O36 Si3'
_cod_original_formula_units_Z    4
_cod_original_formula_weight     1994.15
_cod_database_code               4100191
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052587t

data_4100192
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052587t
_journal_year                    2005
_chemical_formula_moiety         'C24 H20 O8 Si'
_chemical_formula_sum            'C24 H20 O8 Si'
_chemical_formula_weight         464.49
_space_group_IT_number           122
_space_group_name_Hall           'I -4 2bw'
_space_group_name_H-M_alt        'I -4 2 d'
_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            20
_cell_length_a                   17.3347(8)
_cell_length_b                   17.3347(8)
_cell_length_c                   36.855(3)
_cell_measurement_temperature    220(2)
_cell_volume                     11074.8(11)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.393
_cod_database_code               4100192
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052587t

data_4100193
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052587t
_journal_year                    2005
_chemical_formula_moiety         '3 (C24 H20 O8 Si), 10 (C4 H8 O)'
_chemical_formula_sum            'C112 H140 O34 Si3'
_chemical_formula_weight         2114.51
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.106(5)
_cell_length_b                   17.106(5)
_cell_length_c                   38.635(5)
_cell_measurement_temperature    220(2)
_cell_volume                     11305(5)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.242
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (57 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4100193
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052587t

data_4100194
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052587t
_journal_year                    2005
_chemical_formula_moiety         'C24 H20 O8 Si, 8/3(C4 H8 O2)'
_chemical_formula_sum            'C34.66667 H41.33333 O13.33333 Si'
_chemical_formula_weight         699.43
_space_group_IT_number           122
_space_group_name_Hall           'I -4 2bw'
_space_group_name_H-M_alt        'I -4 2 d'
_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            12
_cell_length_a                   17.050(5)
_cell_length_b                   17.050(5)
_cell_length_c                   37.082(9)
_cell_measurement_temperature    220(2)
_cell_volume                     10780(5)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.293
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (32 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

2022-02-21
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_moiety     '3(C24 H20 O8 Si), 8(C4 H8 O2)'
_cod_original_formula_sum        'C104 H124 O40 Si3'
_cod_original_formula_units_Z    4
_cod_original_formula_weight     2098.30
_cod_database_code               4100194
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052604e

data_4100195
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052604e
_journal_year                    2005
_chemical_formula_sum            'C57 H53 N8 Ru2 S Si'
_chemical_formula_weight         1112.36
_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                68.432(2)
_cell_angle_beta                 83.805(2)
_cell_angle_gamma                71.927(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4110(6)
_cell_length_b                   16.5299(10)
_cell_length_c                   17.0040(10)
_cell_measurement_temperature    198(2)
_cell_volume                     2587.0(3)
_diffrn_ambient_temperature      198(2)
_exptl_crystal_density_diffrn    1.428
_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               4100195
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0527976

data_4100196
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0527976
_journal_year                    2005
_chemical_formula_moiety         'C24 H37 D2 N5 O4 Zr'
_chemical_formula_sum            'C30 H37 D8 N5 O4 Zr'
_chemical_formula_weight         638.98
_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                 100.8490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3129(3)
_cell_length_b                   12.9150(3)
_cell_length_c                   21.3187(5)
_cell_measurement_temperature    173(2)
_cell_volume                     3329.53(14)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.275
_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               4100196
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0508727

data_4100197
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0508727
_journal_year                    2005
_chemical_formula_sum            'C27 H19 N2 O'
_chemical_formula_weight         387.44
_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                91.734(4)
_cell_angle_beta                 97.363(4)
_cell_angle_gamma                91.588(4)
_cell_formula_units_Z            4
_cell_length_a                   10.442(2)
_cell_length_b                   10.423(2)
_cell_length_c                   18.967(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2045.4(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.258
_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               4100197
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0508727

data_4100198
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0508727
_journal_year                    2005
_chemical_formula_sum            'C30 H24 N2 O3'
_chemical_formula_weight         460.51
_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                91.335(3)
_cell_angle_beta                 98.148(3)
_cell_angle_gamma                91.295(3)
_cell_formula_units_Z            2
_cell_length_a                   9.7716(15)
_cell_length_b                   10.2228(16)
_cell_length_c                   12.723(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1257.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.216
_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               4100198
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja051075b

data_4100199
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja051075b
_journal_year                    2005
_chemical_formula_sum            'C42 H46 N6 O2'
_chemical_formula_weight         666.85
_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                 90.592(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.896(3)
_cell_length_b                   11.812(3)
_cell_length_c                   12.988(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1824.8(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.214
_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               4100199
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja052935r

data_4100200
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052935r
_journal_year                    2005
_chemical_formula_sum            'C40 H52 Br2 N4 Ni'
_chemical_formula_weight         807.39
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 133.8820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.635(3)
_cell_length_b                   7.6556(7)
_cell_length_c                   22.102(2)
_cell_measurement_temperature    213(2)
_cell_volume                     3858.1(6)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.390
_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'
_cod_database_code               4100200