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

data_4100251
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C62 H74 N4 O8 Pd.(C3 H6 O)0.5'
_chemical_formula_sum            'C63.5 H77 N4 O8.5 Pd'
_chemical_formula_weight         1138.69
_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                105.54(5)
_cell_angle_beta                 101.08(5)
_cell_angle_gamma                90.607(11)
_cell_formula_units_Z            8
_cell_length_a                   16.191(15)
_cell_length_b                   24.30(2)
_cell_length_c                   30.66(5)
_cell_measurement_temperature    173(2)
_cell_volume                     11381(24)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.329
_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        'C63.50 H77 N4 O8.50 Pd'
_cod_database_code               4100251
; Journal of the American Chemical Society  (2005) –; doi:

data_4100252
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C62 H74 N4 O8 Pd'
_chemical_formula_sum            'C62 H74 N4 O8 Pd'
_chemical_formula_weight         1109.65
_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                 97.838(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3837(6)
_cell_length_b                   36.2251(19)
_cell_length_c                   13.6178(8)
_cell_measurement_temperature    93(2)
_cell_volume                     5563.2(5)
_diffrn_ambient_temperature      93(2)
_exptl_crystal_density_diffrn    1.325
_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               4100252
Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides
Dmitry Karshtedt; Journal of the American Chemical Society  (2005) –; doi:

data_4100253
_publ_section_title
;
Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C13 H15 F6 O6 Pt S2'
_chemical_formula_weight         640.46
_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
_cell_angle_beta                 114.421(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.017(2)
_cell_length_b                   12.684(1)
_cell_length_c                   13.349(1)
_cell_measurement_temperature    146.2
_cell_volume                     3702.7(7)
_exptl_crystal_density_diffrn    2.298
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C13 H15 F6 O6 Pt S2 '
_cod_database_code               4100253
; Journal of the American Chemical Society  (2005) –; doi:

data_4100254
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration rm
_chemical_formula_sum            'C33 H42 N2 O8'
_chemical_formula_weight         594.69
_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                 104.015(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.013(9)
_cell_length_b                   8.448(6)
_cell_length_c                   15.988(12)
_cell_measurement_temperature    298(2)
_cell_volume                     1574.3(19)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.255
_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               4100254
; Journal of the American Chemical Society  (2005) –; doi:

data_4100255
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C52 H28 N8 Cl17 Ru2, 0.5(H2O), C6 H14 '
_chemical_formula_sum            'C58 H43 Cl17 N8 O0.5 Ru2'
_chemical_formula_weight         1664.79
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5378(12)
_cell_length_b                   15.5378(12)
_cell_length_c                   27.043(4)
_cell_measurement_temperature    27(2)
_cell_volume                     6528.9(12)
_diffrn_ambient_temperature      27(2)
_exptl_crystal_density_diffrn    1.694
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'C58 H43 Cl17 N8 O0.50 Ru2'
_cod_database_code               4100255
; Journal of the American Chemical Society  (2005) –; doi:

data_4100256
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C52 H28 N8 Cl17 Ru2, 0.5(H2O), C6 H14 '
_chemical_formula_sum            'C58 H43 Cl17 N8 O0.5 Ru2'
_chemical_formula_weight         1664.79
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7834(5)
_cell_length_b                   15.7834(5)
_cell_length_c                   27.0879(17)
_cell_measurement_temperature    300(2)
_cell_volume                     6748.0(5)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    1.639
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'C58 H43 Cl17 N8 O0.50 Ru2'
_cod_database_code               4100256
; Journal of the American Chemical Society  (2005) –; doi:

data_4100257
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'Cu3 S2 N6 C18 H48, 3(Sb F6), 6.5(C Cl2 H2)'
_chemical_formula_sum            'C24.5 H61 Cl13 Cu3 F18 N6 S2 Sb3'
_chemical_formula_weight         1862.63
_chemical_name_common            05090
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   19.4501(10)
_cell_length_b                   19.4501(10)
_cell_length_c                   28.922(3)
_cell_measurement_temperature    173(2)
_cell_volume                     9475.6(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.958
_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_original_sg_symbol_H-M      R-3
_cod_original_formula_sum        'C24.50 H61 Cl13 Cu3 F18 N6 S2 Sb3'
_cod_database_code               4100257
; Journal of the American Chemical Society  (2005) –; doi:

data_4100258
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C30 H66 Cu3 N6 S2,3(F6 P),3(C H2 Cl2)'
_chemical_formula_sum            'C33 H72 Cl6 Cu3 F18 N6 P3 S2'
_chemical_formula_weight         1455.32
_chemical_name_common            05073
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   12.810(5)
_cell_length_b                   24.332(5)
_cell_length_c                   18.638(5)
_cell_measurement_temperature    173(2)
_cell_volume                     5809(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.664
_cod_database_code               4100258
Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide
Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.; Journal of the American Chemical Society  (2005) –; doi:

data_4100259
_publ_section_title
;
Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II)
Nitrosyl Complex: a Facile Delivery of Nitric Oxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C70 H94 N2 Ru2 S8, 4(C H4 O), 2(Br)'
_chemical_formula_sum            'C74 H110 Br2 N2 O4 Ru2 S8'
_chemical_formula_weight         1710.08
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                72.949(5)
_cell_angle_beta                 78.142(4)
_cell_angle_gamma                75.680(5)
_cell_formula_units_Z            1
_cell_length_a                   10.9433(7)
_cell_length_b                   13.8349(10)
_cell_length_c                   14.3122(8)
_cell_measurement_temperature    100(2)
_cell_volume                     1986.5(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.430
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07
;
_cod_database_code               4100259
Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide
Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.; Journal of the American Chemical Society  (2005) –; doi:

data_4100260
_publ_section_title
;
 Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II)
 Nitrosyl Complex: a Facile Delivery of Nitric Oxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C48 H36 N O Ru S4 Si2, C16 H36 N, C H4 O'
_chemical_formula_sum            'C65 H76 N2 O2 Ru S4 Si2'
_chemical_formula_weight         1202.77
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                99.580(5)
_cell_angle_beta                 92.874(5)
_cell_angle_gamma                101.063(6)
_cell_formula_units_Z            1
_cell_length_a                   9.4625(8)
_cell_length_b                   9.9173(7)
_cell_length_c                   16.7418(8)
_cell_measurement_temperature    100(2)
_cell_volume                     1514.91(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.318
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07
;
_cod_database_code               4100260
Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide
Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.; Journal of the American Chemical Society  (2005) –; doi:

data_4100261
_publ_section_title
;
 Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II)
 Nitrosyl Complex: a Facile Delivery of Nitric Oxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety
;
 C55 H43 N2 O Ru S4 Si2, C H2 Cl2, C2 H3 N, Br
;
_chemical_formula_sum            'C58 H48 Br Cl2 N3 O Ru S4 Si2'
_chemical_formula_weight         1239.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.782(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3865(2)
_cell_length_b                   28.6040(5)
_cell_length_c                   17.1645(3)
_cell_measurement_temperature    100(2)
_cell_volume                     5583.88(17)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.474
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100261
Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide
Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D.; Journal of the American Chemical Society  (2005) –; doi:

data_4100262
_publ_section_title
;
Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II)
Nitrosyl Complex: a Facile Delivery of Nitric Oxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C55 H43 Br N Ru S4 Si2, 2(C3 H7 N O)'
_chemical_formula_sum            'C61 H57 Br N3 O2 Ru S4 Si2'
_chemical_formula_weight         1229.50
_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                 98.956(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.8857(4)
_cell_length_b                   10.9211(2)
_cell_length_c                   26.5136(5)
_cell_measurement_temperature    100(2)
_cell_volume                     5687.9(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.436
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4100262
; Journal of the American Chemical Society  (2005) –; doi:

data_4100263
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C48 H48 Br2 N2 Ni'
_chemical_formula_sum            'C25 H25 Br Cl2 N Ni0.5'
_chemical_formula_weight         519.63
_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                 94.255(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.048(2)
_cell_length_b                   11.7172(10)
_cell_length_c                   15.9494(14)
_cell_measurement_temperature    173(2)
_cell_volume                     4668.1(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_meas      0
_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_original_formula_sum        'C25 H25 Br Cl2 N Ni0.50'
_cod_database_code               4100263
; Journal of the American Chemical Society  (2005) –; doi:

data_4100264
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C20 H40 B10 Cl Li O2 Zr'
_chemical_formula_weight         554.23
_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                   10.5395(18)
_cell_length_b                   14.490(3)
_cell_length_c                   19.322(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2950.7(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.248
_cod_database_code               4100264
; Journal of the American Chemical Society  (2005) –; doi:

data_4100265
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C29 H50 B10 N2 O Zr'
_chemical_formula_weight         642.03
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.556(2)
_cell_length_b                   24.4700(13)
_cell_length_c                   13.1219(16)
_cell_measurement_temperature    293(2)
_cell_volume                     3389.3(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.258
_cod_database_code               4100265
; Journal of the American Chemical Society  (2005) –; doi:

data_4100266
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C22 H33 B10 N3 O Zr'
_chemical_formula_weight         554.83
_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                72.5990(10)
_cell_angle_beta                 78.0750(10)
_cell_angle_gamma                86.9100(10)
_cell_formula_units_Z            2
_cell_length_a                   10.8276(6)
_cell_length_b                   11.4701(7)
_cell_length_c                   11.7051(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1357.19(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.358
_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               4100266
; Journal of the American Chemical Society  (2005) –; doi:

data_4100267
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C29 H51 B10 N3 O0.5 Zr'
_chemical_formula_weight         649.05
_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                 91.335(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4402(9)
_cell_length_b                   22.1976(18)
_cell_length_c                   15.3260(12)
_cell_measurement_temperature    293(2)
_cell_volume                     3890.9(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.108
_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        'C29 H51 B10 N3 O0.50 Zr'
_cod_database_code               4100267
; Journal of the American Chemical Society  (2005) –; doi:

data_4100268
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C26 H30 B10 N2 Zr'
_chemical_formula_weight         569.84
_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                   11.009(2)
_cell_length_b                   11.266(2)
_cell_length_c                   22.931(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2844.2(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.331
_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               4100268
; Journal of the American Chemical Society  (2005) –; doi:

data_4100269
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'Bi4 Mn2.7 Ni1.3 O12'
_chemical_formula_sum            'Bi4 Mn2.7 Ni1.3 O12'
_chemical_formula_weight         1252.56
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2 -2bc'
_symmetry_space_group_name_H-M   'P n 21 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.4939(11)
_cell_length_b                   11.115(2)
_cell_length_c                   15.503(3)
_cell_measurement_temperature    150(2)
_cell_volume                     946.7(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    8.788
_cod_database_code               4100269