LMucko/crystallography-open-database huggingface dataset:
Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam
Nowell, Harriott; Price, Sarah L.; Acta Crystallographica, Section B: Structural Science 61 (2005) 558–568; doi:10.1107/s0108768105018549

data_2100325
_publ_section_title
;
 Validation of a search technique for crystal structure prediction
 of flexible molecules by application to piracetam
;
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              558
_journal_page_last               568
_journal_paper_doi               10.1107/s0108768105018549
_journal_volume                  61
_journal_year                    2005
_chemical_formula_sum            'C6 H10 N2 O2'
_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
_cell_angle_beta                 99.5221
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4368
_cell_length_b                   6.4313
_cell_length_c                   17.0409
_cell_volume                     695.722
_cod_duplicate_entry             2100180
_cod_depositor_comments
;
 Marking structure as being theoretically determined.

 Antanas Vaitkus,
 2017-08-05

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C6 N2 O2 H10'
_cod_struct_determination_method theoretical
_cod_database_code               2100325
Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam
Nowell, Harriott; Price, Sarah L.; Acta Crystallographica, Section B: Structural Science 61 (2005) 558–568; doi:10.1107/s0108768105018549

data_2100326
_publ_section_title
;
 Validation of a search technique for crystal structure prediction
 of flexible molecules by application to piracetam
;
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              558
_journal_page_last               568
_journal_paper_doi               10.1107/s0108768105018549
_journal_volume                  61
_journal_year                    2005
_chemical_formula_sum            'C6 H10 N2 O2'
_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                 106.662
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0537
_cell_length_b                   5.7936
_cell_length_c                   13.8981
_cell_volume                     698.394
_cod_duplicate_entry             2100181
_cod_depositor_comments
;
 Marking structure as being theoretically determined.

 Antanas Vaitkus,
 2017-08-05

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 N2 O2 H10'
_cod_struct_determination_method theoretical
_cod_database_code               2100326
Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam
Nowell, Harriott; Price, Sarah L.; Acta Crystallographica, Section B: Structural Science 61 (2005) 558–568; doi:10.1107/s0108768105018549

data_2100327
_publ_section_title
;
 Validation of a search technique for crystal structure prediction
 of flexible molecules by application to piracetam
;
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              558
_journal_page_last               568
_journal_paper_doi               10.1107/s0108768105018549
_journal_volume                  61
_journal_year                    2005
_chemical_formula_sum            'C6 H10 N2 O2'
_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                 106.973
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1137
_cell_length_b                   5.7466
_cell_length_c                   14.013
_cell_volume                     701.933
_cod_duplicate_entry             2100182
_cod_depositor_comments
;
 Marking structure as being theoretically determined.

 Antanas Vaitkus,
 2017-08-05

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 N2 O2 H10'
_cod_struct_determination_method theoretical
_cod_database_code               2100327
Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4
Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M.; Acta Crystallographica, Section B: Structural Science 61 (2005) 481–485; doi:10.1107/s0108768105017362

data_2100330
_publ_section_title
;
 Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              481
_journal_page_last               485
_journal_paper_doi               10.1107/s0108768105017362
_journal_volume                  61
_journal_year                    2005
_chemical_formula_moiety         'B4 Fe3 Gd O12'
_chemical_formula_sum            'B4 Fe3 Gd O12'
_chemical_formula_weight         560.04
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.5305(3)
_cell_length_b                   9.5305(3)
_cell_length_c                   7.5479(2)
_cell_measurement_temperature    90.0(10)
_cell_volume                     593.73(3)
_diffrn_ambient_temperature      90.0(10)
_exptl_crystal_density_diffrn    4.699
_cod_duplicate_entry             2100205
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2020-09-30

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               2100330
Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4
Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M.; Acta Crystallographica, Section B: Structural Science 61 (2005) 481–485; doi:10.1107/s0108768105017362

data_2100331
_publ_section_title
;
 Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              481
_journal_page_last               485
_journal_paper_doi               10.1107/s0108768105017362
_journal_volume                  61
_journal_year                    2005
_chemical_formula_moiety         'B4 Fe3 Gd O12'
_chemical_formula_sum            'B4 Fe3 Gd O12'
_chemical_formula_weight         560.04
_space_group_IT_number           155
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.5203(6)
_cell_length_b                   9.5203(6)
_cell_length_c                   7.5439(5)
_cell_measurement_temperature    297.0(10)
_cell_volume                     592.15(7)
_diffrn_ambient_temperature      297.0(10)
_exptl_crystal_density_diffrn    4.712
_cod_duplicate_entry             2100206
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2020-09-30

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 2'
_cod_database_code               2100331
; Acta Crystallographica, Section B 61 (2005) 627–634; doi:

data_2100335
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              627
_journal_page_last               634
_journal_volume                  61
_journal_year                    2005
_chemical_formula_moiety         'O2 Si'
_chemical_formula_sum            'O2 Si'
_chemical_formula_weight         3605.40
_chemical_name_common            deca-dodecasil
_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            120
_cell_length_a                   13.77610(10)
_cell_length_b                   13.77610(10)
_cell_length_c                   41.5456(6)
_cell_measurement_temperature    183(2)
_cell_volume                     6828.23(12)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.754
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               2100335
Extremely long period stacking structure in the Sb-Te binary system
Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru; Acta Crystallographica, Section B: Structural Science 61 (2005) 492–497; doi:10.1107/S0108768105017714

data_2100336
_publ_section_title
;
 Extremely long period stacking structure in the Sb-Te binary system
;
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              492
_journal_page_last               497
_journal_paper_doi               10.1107/S0108768105017714
_journal_volume                  61
_journal_year                    2005
_chemical_formula_analytical     'Sb72 Te28'
_chemical_formula_structural     'Sb8 Te3'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            ?
_cell_length_a                   4.27125(2)
_cell_length_b                   4.27125(2)
_cell_length_c                   63.8957(6)
_cell_measurement_temperature    90.0
_cell_volume                     1009.510(10)
_diffrn_ambient_temperature      90
_cod_duplicate_entry             2100209
_cod_original_sg_symbol_H-M      'R -3 m:h'
_cod_database_code               2100336
Extremely long period stacking structure in the Sb-Te binary system
Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru; Acta Crystallographica, Section B: Structural Science 61 (2005) 492–497; doi:10.1107/S0108768105017714

data_2100337
_publ_section_title
;
 Extremely long period stacking structure in the Sb-Te binary system
;
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              492
_journal_page_last               497
_journal_paper_doi               10.1107/S0108768105017714
_journal_volume                  61
_journal_year                    2005
_chemical_formula_analytical     'Sb85 Te15'
_chemical_formula_structural     'Sb16 Te3'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            ?
_cell_length_a                   4.28168(2)
_cell_length_b                   4.28168(2)
_cell_length_c                   108.7017(8)
_cell_measurement_temperature    90.0
_cell_volume                     1725.82(2)
_diffrn_ambient_temperature      90
_cod_duplicate_entry             2100210
_cod_original_sg_symbol_H-M      'R -3 m:h'
_cod_database_code               2100337
Bolotina, Nadezhda B.; Kirschbaum, Kristin; Pinkerton, A.Alan; Acta Crystallographica, Section B 61 (2005) 577–584; doi:

data_2100338
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              577
_journal_page_last               584
_journal_volume                  61
_journal_year                    2005
_chemical_formula_moiety         'C2 H2 N4 O3'
_chemical_formula_sum            'C2 H2 N4 O3'
_chemical_formula_weight         130.08
_chemical_name_common            alpha-NTO
_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                106.610(2)
_cell_angle_beta                 97.810(2)
_cell_angle_gamma                90.130(2)
_cell_formula_units_Z            8
_cell_length_a                   5.1233(8)
_cell_length_b                   10.3140(16)
_cell_length_c                   17.998(3)
_cell_measurement_temperature    293(2)
_cell_volume                     902.1(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.916
_cod_duplicate_entry             2100221
_cod_database_code               2100338
Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis
Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.; Acta Crystallographica Section B 62 (2006) 60–67; doi:10.1107/S0108768105041066

data_2100364
_publ_section_title
;
 Structures of the cation-deficient perovskite
 Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder
 diffraction in combination with group-theoretical analysis
;
_journal_coeditor_code           BK5024
_journal_date_accepted           2005-12-08
_journal_date_recd_electronic    2005-09-19
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              60
_journal_page_last               67
_journal_paper_category          FA
_journal_paper_doi               10.1107/S0108768105041066
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Al0.1 Nd0.7 O3 Ti0.9'
_chemical_formula_weight         194.76
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.042(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   7.67637(12)
_cell_length_b                   7.64297(12)
_cell_length_c                   7.71137(12)
_cell_volume                     452.428(12)
_cod_data_source_file            bk5024.cif
_cod_data_source_block           ND0.7AL0.1TI0.9O3_RT
_cod_original_cell_volume        452.428(19)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        Al0.1Nd0.7O3Ti0.9
_cod_database_code               2100364
Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis
Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.; Acta Crystallographica Section B 62 (2006) 60–67; doi:10.1107/S0108768105041066

data_2100365
_publ_section_title
;
 Structures of the cation-deficient perovskite
 Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder
 diffraction in combination with group-theoretical analysis
;
_journal_coeditor_code           BK5024
_journal_date_accepted           2005-12-08
_journal_date_recd_electronic    2005-09-19
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              60
_journal_page_last               67
_journal_paper_category          FA
_journal_paper_doi               10.1107/S0108768105041066
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Al0.1 Nd0.7 O3 Ti0.9'
_chemical_formula_weight         194.76
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   7.71021(11)
_cell_length_b                   7.69428(11)
_cell_length_c                   7.74755(10)
_cell_volume                     459.620(11)
_cod_data_source_file            bk5024.cif
_cod_data_source_block           ND0.7AL0.1TI0.9O3_600C
_cod_original_cell_volume        459.620(16)
_cod_original_sg_symbol_H-M      Cmmm
_cod_original_formula_sum        Al0.1Nd0.7O3Ti0.9
_cod_database_code               2100365
Structure model for the τ(μ) phase in Al‒Cr‒Si alloys deduced from the λ phase by the strong-reflections approach
Zhang, H.; He, Z.B.; Oleynikov, P.; Zou, X. D.; Hovmöller, S.; Kuo, K. H.; Acta Crystallographica Section B 62 (2006) 16–25; doi:10.1107/S0108768105035779

data_2100373
_publ_section_title
;
 Structure model for the \t(\m) phase in Al--Cr--Si alloys deduced from
 the \l phase by the strong-reflections approach
;
_journal_coeditor_code           DR5007
_journal_date_accepted           2005-11-01
_journal_date_recd_electronic    2005-08-23
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              16
_journal_page_last               25
_journal_paper_category          FA
_journal_paper_doi               10.1107/S0108768105035779
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Al596 Cr156'
_chemical_formula_weight         24192.350
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  -P_6c_2c
_symmetry_space_group_name_H-M   'P 63/m m c'
_audit_creation_method           'Created with Diamond v2.0'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            24
_cell_length_a                   32.3000
_cell_length_b                   32.3000
_cell_length_c                   12.4000
_cell_volume                     11203.594
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Philips CM12 TEM'
_diffrn_radiation_source         LaB6
_diffrn_radiation_type           Electrons
_diffrn_radiation_wavelength     0.0370
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.363
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.001
_exptl_crystal_size_mid          0.0001
_exptl_crystal_size_min          0.000005
_cod_data_source_file            dr5007.cif
_cod_data_source_block           tau-mu
_cod_original_cell_volume        11203.6
_cod_original_formula_sum        'Cr156 Al596'
_cod_database_code               2100373
Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles
Yashima, Masatomo; Tsunekawa, Shin; Acta Crystallographica, Section B 62 (2006) 161–164; doi:10.1107/S0108768105030570

data_2100388
_publ_section_title
;
Crystal structures and the oxygen deficiency of tetragonal and monoclinic
zirconium oxide nanoparticles
;
_journal_coeditor_code           OG5013
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              161
_journal_page_last               164
_journal_paper_doi               10.1107/S0108768105030570
_journal_volume                  62
_journal_year                    2006
_chemical_formula_analytical     'O2-x Zr0.994 Hf0.006'
_chemical_formula_iupac          'O2-x Zr'
_chemical_formula_moiety         'O2-x Zr'
_chemical_formula_structural     'O4-2x 2Zr'
_chemical_formula_sum            'Hf0.006 O1.968 Zr0.994'
_chemical_formula_weight         246.49
_chemical_name_common            'zirconium oxide'
_chemical_name_systematic
;
zirconium oxide
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           137
_space_group_name_H-M_alt        'P 42/n m c'
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   3.58651(8)
_cell_length_b                   3.58651(8)
_cell_length_c                   5.16658(15)
_cell_measurement_temperature    298
_cell_volume                     66.458(3)
_computing_cell_refinement       'RIETAN-2000 (Izumi and Ikeda, 2000)'
_computing_data_collection       'RIGAKU software (Toraya et al., 1996)'
_computing_molecular_graphics    'VENUS [Izumi and Dilanian (2002)]'
_computing_structure_refinement  RIETAN-2000
_computing_structure_solution    RIETAN-2000
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type
;a multiple-detector system with Ge(111) analyzer crystals, Soller slits and
scintillation counters (Toraya et al., 1996)
;
_diffrn_radiation_monochromator  'Ge(111) analyzer crystals'
_diffrn_radiation_type           'monochromatized synchrotron X-ray 1.20200'
_diffrn_radiation_wavelength     'CuK\a~2~ 1.54439'
_exptl_crystal_density_diffrn    6.158914
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             111.192
_refine_ls_goodness_of_fit_all   1.30
_refine_ls_number_parameters     '57 (13 for structural parameters)'
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_original_formula_sum        'O1.968 Zr0.994 Hf0.006'
_cod_database_code               2100388
Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles
Yashima, Masatomo; Tsunekawa, Shin; Acta Crystallographica, Section B 62 (2006) 161–164; doi:10.1107/S0108768105030570

data_2100389
_publ_section_title
;
Crystal structures and the oxygen deficiency of tetragonal and monoclinic
zirconium oxide nanoparticles
;
_journal_coeditor_code           OG5013
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              161
_journal_page_last               164
_journal_paper_doi               10.1107/S0108768105030570
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.58651(8)
_cell_length_b                   3.58651(8)
_cell_length_c                   5.16658(8)
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               2100389