LMucko/crystallography-open-database huggingface dataset:
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057122h

data_4101060
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057122h
_journal_year                    2006
_chemical_formula_sum            'C34 H40 Cl4 Cu2 N8'
_chemical_formula_weight         829.62
_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                 99.093(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.362(6)
_cell_length_b                   10.550(8)
_cell_length_c                   22.438(16)
_cell_measurement_temperature    293(2)
_cell_volume                     1954(3)
_diffrn_ambient_temperature      293(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               4101060
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057122h

data_4101061
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057122h
_journal_year                    2006
_chemical_formula_sum            'C34 H40 Cl4 Cu2 I2 N8'
_chemical_formula_weight         1083.42
_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                 98.340(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3975(18)
_cell_length_b                   10.861(2)
_cell_length_c                   21.890(5)
_cell_measurement_temperature    100(2)
_cell_volume                     1975.5(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.821
_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               4101061
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057205y

data_4101062
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057205y
_journal_year                    2006
_chemical_formula_moiety         'C60 H134 Ge2 Si14'
_chemical_formula_sum            'C60 H134 Ge2 Si14'
_chemical_formula_weight         1394.11
_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                93.306(2)
_cell_angle_beta                 91.725(3)
_cell_angle_gamma                103.854(3)
_cell_formula_units_Z            4
_cell_length_a                   12.7522(5)
_cell_length_b                   19.0869(7)
_cell_length_c                   35.8127(16)
_cell_measurement_temperature    103(2)
_cell_volume                     8440.5(6)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.097
_cod_database_code               4101062
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057205y

data_4101063
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057205y
_journal_year                    2006
_chemical_formula_moiety         'C66 H144 Ge2 Si14'
_chemical_formula_sum            'C66 H144 Ge2 Si14'
_chemical_formula_weight         1476.25
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 110.5058(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2422(3)
_cell_length_b                   18.9459(7)
_cell_length_c                   18.6788(8)
_cell_measurement_temperature    153(2)
_cell_volume                     4389.3(3)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.117
_cod_original_sg_symbol_H-M      'P n'
_cod_database_code               4101063
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057205y

data_4101064
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057205y
_journal_year                    2006
_chemical_formula_moiety         'C72 H154 Ge2 Si14, C6 H14 '
_chemical_formula_sum            'C78 H168 Ge2 Si14'
_chemical_formula_weight         1644.56
_chemical_name_common            'compound 11'
_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                85.759(5)
_cell_angle_beta                 84.425(3)
_cell_angle_gamma                91.478(3)
_cell_formula_units_Z            1
_cell_length_a                   12.4319(7)
_cell_length_b                   13.0130(8)
_cell_length_c                   14.7938(11)
_cell_measurement_temperature    103(2)
_cell_volume                     2374.1(3)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.150
_cod_database_code               4101064
Carsten Strohmann, Christian Daeschlein, Dominik Auer; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057348k

data_4101065
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057348k
_journal_year                    2006
_chemical_formula_sum            'C27 H45 Li N2 O Si'
_chemical_formula_weight         448.68
_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
_cell_angle_beta                 113.178(18)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.4403(15)
_cell_length_b                   18.274(2)
_cell_length_c                   9.4574(13)
_cell_measurement_temperature    173(2)
_cell_volume                     1340.9(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.111
_refine_diff_density_rms         0.045
_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               4101065
Carsten Strohmann, Christian Daeschlein, Dominik Auer; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057348k

data_4101066
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057348k
_journal_year                    2006
_chemical_formula_sum            'C31 H46 Li N3 Si'
_chemical_formula_weight         495.74
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.094(2)
_cell_length_b                   14.299(3)
_cell_length_c                   18.751(7)
_cell_measurement_temperature    173(2)
_cell_volume                     2974.5(13)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.107
_cod_database_code               4101066
Carsten Strohmann, Christian Daeschlein, Dominik Auer; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057348k

data_4101067
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057348k
_journal_year                    2006
_chemical_formula_sum            'C26 H44 Li N3 O Si'
_chemical_formula_weight         449.67
_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
_cell_angle_beta                 111.35(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8887(16)
_cell_length_b                   29.678(3)
_cell_length_c                   10.107(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2762.6(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.081
_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               4101067
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057367u

data_4101068
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057367u
_journal_year                    2006
_chemical_formula_sum            'C74 H96 N4 O2 S24'
_chemical_formula_weight         1842.99
_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                112.352(1)
_cell_angle_beta                 101.418(1)
_cell_angle_gamma                93.336(1)
_cell_formula_units_Z            2
_cell_length_a                   12.6227(1)
_cell_length_b                   17.5519(2)
_cell_length_c                   22.3645(3)
_cell_measurement_temperature    153(2)
_cell_volume                     4442.97(9)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.378
_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               4101068
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057367u

data_4101069
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057367u
_journal_year                    2006
_chemical_formula_sum            'C38 H48 N4 S6'
_chemical_formula_weight         753.16
_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                84.972(2)
_cell_angle_beta                 88.247(2)
_cell_angle_gamma                64.993(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1915(2)
_cell_length_b                   10.9470(3)
_cell_length_c                   19.2157(6)
_cell_measurement_temperature    153(2)
_cell_volume                     1935.33(9)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.292
_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               4101069
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057395c

data_4101070
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057395c
_journal_year                    2006
_chemical_formula_moiety         '( C47 H63 O4 N ) ( C H3 N )'
_chemical_formula_sum            'C50.5 H74.75 Cl0.75 N2.5 O4.75'
_chemical_formula_weight         819.47
_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            16
_cell_length_a                   23.1968(7)
_cell_length_b                   23.1968(7)
_cell_length_c                   38.961(2)
_cell_measurement_temperature    163(2)
_cell_volume                     20964.4(15)
_diffrn_ambient_temperature      163(2)
_exptl_crystal_density_diffrn    1.039
_cod_original_sg_symbol_Hall     '-I 4xy'
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'C50.50 H74.75 Cl0.75 N2.50 O4.75'
_cod_database_code               4101070
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0574062

data_4101071
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0574062
_journal_year                    2006
_chemical_formula_moiety         'C44 H42 Mn4 N16 O12 '
_chemical_formula_sum            'C44 H42 Mn4 N16 O12'
_chemical_formula_weight         1206.67
_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                90.0000
_cell_angle_beta                 102.570(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   11.151(3)
_cell_length_b                   10.043(2)
_cell_length_c                   23.047(5)
_cell_measurement_temperature    93.1
_cell_volume                     2519.4(10)
_exptl_crystal_density_diffrn    1.591
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C44 H42 Mn4 N16 O12 '
_cod_database_code               4101071
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0574062

data_4101072
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0574062
_journal_year                    2006
_chemical_formula_moiety         'C46 H50 Cl2 Mn4 N14 O18 '
_chemical_formula_sum            'C46 H50 Cl2 Mn4 N14 O18'
_chemical_formula_weight         1377.64
_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                90.0000
_cell_angle_beta                 111.754(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   28.322(8)
_cell_length_b                   11.093(3)
_cell_length_c                   20.207(6)
_cell_measurement_temperature    118.1
_cell_volume                     5897(3)
_exptl_crystal_density_diffrn    1.552
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C46 H50 Cl2 Mn4 N14 O18 '
_cod_database_code               4101072
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0574062

data_4101073
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0574062
_journal_year                    2006
_chemical_formula_moiety         'C38 H47 Br2 Mn4 N10 O8.50 '
_chemical_formula_sum            'C38 H47 Br2 Mn4 N10 O8.5'
_chemical_formula_weight         1159.41
_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                90.0000
_cell_angle_beta                 107.884(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   20.76(2)
_cell_length_b                   11.688(7)
_cell_length_c                   21.196(14)
_cell_measurement_temperature    93.1
_cell_volume                     4895(7)
_exptl_crystal_density_diffrn    1.573
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C38 H47 Br2 Mn4 N10 O8.50 '
_cod_database_code               4101073
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja0574062

data_4101074
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0574062
_journal_year                    2006
_chemical_formula_moiety         'C40 H36 Cl2 Mn4 N12 O14 '
_chemical_formula_sum            'C40 H36 Cl2 Mn4 N12 O14'
_chemical_formula_weight         1199.45
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.530(3)
_cell_length_b                   16.999(3)
_cell_length_c                   18.440(3)
_cell_measurement_temperature    93.1
_cell_volume                     4554.4(13)
_exptl_crystal_density_diffrn    1.749
_cod_original_formula_sum        'C40 H36 Cl2 Mn4 N12 O14 '
_cod_database_code               4101074
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057596g

data_4101075
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057596g
_journal_year                    2006
_chemical_formula_sum            'C41 H86 O3 Si8'
_chemical_formula_weight         851.82
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.264(3)
_cell_angle_beta                 88.100(4)
_cell_angle_gamma                84.895(4)
_cell_formula_units_Z            2
_cell_length_a                   11.3450(5)
_cell_length_b                   12.3622(9)
_cell_length_c                   20.0696(14)
_cell_measurement_temperature    296(2)
_cell_volume                     2723.2(3)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.039
_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               4101075
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057596g

data_4101076
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057596g
_journal_year                    2006
_chemical_formula_sum            'C41 H86 O3 Si8'
_chemical_formula_weight         851.82
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.8510(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.5669(5)
_cell_length_b                   20.9516(6)
_cell_length_c                   21.6970(4)
_cell_measurement_temperature    296(2)
_cell_volume                     10688.3(4)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.059
_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               4101076
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057596g

data_4101077
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057596g
_journal_year                    2006
_chemical_formula_sum            'C40 H84 O3 Si8'
_chemical_formula_weight         837.79
_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                 117.158(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.5228(7)
_cell_length_b                   32.6657(15)
_cell_length_c                   12.9221(4)
_cell_measurement_temperature    150(2)
_cell_volume                     5078.8(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.096
_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               4101077
; Journal of the American Chemical Society  (2006) –; doi:10.1021/ja057596g

data_4101078
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja057596g
_journal_year                    2006
_chemical_formula_sum            'C41 H86 O3 Si8'
_chemical_formula_weight         851.82
_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                 120.298(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0521(14)
_cell_length_b                   20.7447(14)
_cell_length_c                   21.518(2)
_cell_measurement_temperature    299(2)
_cell_volume                     5415.9(8)
_diffrn_ambient_temperature      299(2)
_exptl_crystal_density_diffrn    1.045
_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               4101078