LMucko/crystallography-open-database huggingface dataset:
High-pressure structures of α- and δ-ZrMo~2~O~8~
Krogh Andersen, Anne Marie; Carlson, Stefan; Acta Crystallographica Section B 57 (2001) 20–26; doi:10.1107/S0108768100013215

data_2103587
_publ_section_title
;
 High-pressure structures of \a- and \d-ZrMo~2~O~8~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              20
_journal_page_last               26
_journal_paper_doi               10.1107/S0108768100013215
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     Zr(Mo4)2
_chemical_formula_sum            'Mo2 O8 Zr'
_chemical_formula_weight         411.10
_chemical_name_systematic        'Zirconium molybdate'
_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                 93.039(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.8256(3)
_cell_length_b                   5.98980(18)
_cell_length_c                   5.31146(19)
_cell_measurement_pressure       1530000
_cell_measurement_temperature    298
_cell_volume                     312.158(17)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .42496
_diffrn_reflns_number            106
_refine_ls_goodness_of_fit_all   1.78
_refine_ls_number_parameters     53
_refine_ls_number_reflns         108
_refine_ls_shift/su_max          .01
_refine_ls_shift/su_mean         .01
_refine_ls_structure_factor_coef Fsqd
_reflns_number_gt                106
_reflns_number_total             106
_cod_data_source_file            sn0004.cif
_cod_data_source_block           1.53GPa
_cod_original_cell_volume        312.16(2)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Mo2 O8 Zr1'
_cod_database_code               2103587
_cod_database_fobs_code          2103587
High-pressure structures of α- and δ-ZrMo~2~O~8~
Krogh Andersen, Anne Marie; Carlson, Stefan; Acta Crystallographica Section B 57 (2001) 20–26; doi:10.1107/S0108768100013215

data_2103588
_publ_section_title
;
 High-pressure structures of \a- and \d-ZrMo~2~O~8~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              20
_journal_page_last               26
_journal_paper_doi               10.1107/S0108768100013215
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     Zr(Mo4)2
_chemical_formula_sum            'Mo2 O8 Zr'
_chemical_formula_weight         411.10
_chemical_name_systematic        'Zirconium molybdate'
_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                 93.069(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.7966(3)
_cell_length_b                   5.98422(17)
_cell_length_c                   5.28547(18)
_cell_measurement_pressure       1640000
_cell_measurement_temperature    298
_cell_volume                     309.416(17)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .42496
_diffrn_reflns_number            105
_refine_ls_goodness_of_fit_all   1.69
_refine_ls_number_parameters     53
_refine_ls_number_reflns         108
_refine_ls_shift/su_max          .01
_refine_ls_shift/su_mean         .01
_refine_ls_structure_factor_coef Fsqd
_reflns_number_gt                105
_reflns_number_total             105
_cod_data_source_file            sn0004.cif
_cod_data_source_block           1.64GPa
_cod_original_cell_volume        309.42(2)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Mo2 O8 Zr1'
_cod_database_code               2103588
_cod_database_fobs_code          2103588
High-pressure structures of α- and δ-ZrMo~2~O~8~
Krogh Andersen, Anne Marie; Carlson, Stefan; Acta Crystallographica Section B 57 (2001) 20–26; doi:10.1107/S0108768100013215

data_2103589
_publ_section_title
;
 High-pressure structures of \a- and \d-ZrMo~2~O~8~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              20
_journal_page_last               26
_journal_paper_doi               10.1107/S0108768100013215
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     Zr(Mo4)2
_chemical_formula_sum            'Mo2 O8 Zr'
_chemical_formula_weight         411.10
_chemical_name_systematic        'Zirconium molybdate'
_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                 93.116(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.7834(3)
_cell_length_b                   5.99225(17)
_cell_length_c                   5.26578(18)
_cell_measurement_pressure       1790000
_cell_measurement_temperature    298
_cell_volume                     308.248(17)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .42496
_diffrn_reflns_number            104
_refine_ls_goodness_of_fit_all   1.69
_refine_ls_number_parameters     53
_refine_ls_number_reflns         104
_refine_ls_shift/su_max          .01
_refine_ls_shift/su_mean         .01
_refine_ls_structure_factor_coef Fsqd
_reflns_number_gt                104
_reflns_number_total             104
_cod_data_source_file            sn0004.cif
_cod_data_source_block           1.79GPa
_cod_original_cell_volume        308.25(2)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Mo2 O8 Zr1'
_cod_database_code               2103589
_cod_database_fobs_code          2103589
High-pressure structures of α- and δ-ZrMo~2~O~8~
Krogh Andersen, Anne Marie; Carlson, Stefan; Acta Crystallographica Section B 57 (2001) 20–26; doi:10.1107/S0108768100013215

data_2103590
_publ_section_title
;
 High-pressure structures of \a- and \d-ZrMo~2~O~8~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              20
_journal_page_last               26
_journal_paper_doi               10.1107/S0108768100013215
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     Zr(Mo4)2
_chemical_formula_sum            'Mo2 O8 Zr'
_chemical_formula_weight         411.10
_chemical_name_systematic        'Zirconium molybdate'
_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                 93.140(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.7643(3)
_cell_length_b                   5.99021(18)
_cell_length_c                   5.24841(19)
_cell_measurement_pressure       1870000
_cell_measurement_temperature    298
_cell_volume                     306.520(17)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .42496
_diffrn_reflns_number            104
_refine_ls_goodness_of_fit_all   1.65
_refine_ls_number_parameters     53
_refine_ls_number_reflns         104
_refine_ls_shift/su_max          .01
_refine_ls_shift/su_mean         .01
_refine_ls_structure_factor_coef Fsqd
_reflns_number_gt                104
_reflns_number_total             104
_cod_data_source_file            sn0004.cif
_cod_data_source_block           1.87GPa
_cod_original_cell_volume        306.52(2)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Mo2 O8 Zr1'
_cod_database_code               2103590
_cod_database_fobs_code          2103590
Neutron diffraction study of φ-Bi~8~Pb~5~O~17~: structure refinement and analysis of cationic ordering
Righi, Lara; Calestani, Gianluca; Gemmi, Mauro; Migliori, Andrea; Bettinelli, Marco; Acta Crystallographica Section B 57 (2001) 237–243; doi:10.1107/S0108768101001628

data_2103652
_publ_section_title
;
 Neutron diffraction study of \f-Bi~8~Pb~5~O~17~: structure refinement
 and analysis of cationic ordering
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              237
_journal_page_last               243
_journal_paper_doi               10.1107/S0108768101001628
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'O17 Pb5 Bi8'
_chemical_formula_structural     'Bi9.85 Pb6.16 O21'
_chemical_formula_weight         2979.83
_chemical_name_systematic        ' bismuth lead oxide'
_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                97.1900(13)
_cell_angle_beta                 118.4728(11)
_cell_angle_gamma                80.6428(13)
_cell_formula_units_Z            2
_cell_length_a                   7.45067(12)
_cell_length_b                   14.1768(2)
_cell_length_c                   7.21007(12)
_cell_measurement_temperature    295
_cell_volume                     659.553(19)
_computing_molecular_graphics    Cerius2
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'D2B high-res. diffractometer'
_diffrn_radiation_monochromator  'Ge[335] composite crystals'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.594
_refine_ls_goodness_of_fit_all   1.38
_refine_ls_matrix_type           'full matrix'
_refine_ls_number_constraints    2
_refine_ls_number_parameters     82
_cod_data_source_file            lc0030.cif
_cod_data_source_block           phi
_cod_original_cell_volume        659.550(10)
_cod_database_code               2103652
Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data
van Langevelde, Arjen; Peschar, René; Schenk, Henk; Acta Crystallographica Section B 57 (2001) 372–377; doi:10.1107/S0108768100019121

data_2103655
_publ_section_title
;
 Structure of \b-trimyristin and \b-tristearin from high-resolution
 X-ray powder diffraction data
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              372
_journal_page_last               377
_journal_paper_doi               10.1107/S0108768100019121
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'C45 H86 O6'
_chemical_formula_weight         723.18
_chemical_name_common            '\b-trimyristin (MMM)'
_chemical_name_systematic
;
 \b-1,2,3-tri-tetradecanoyl-glycerol
;
_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                73.388(4)
_cell_angle_beta                 100.408(5)
_cell_angle_gamma                118.274(4)
_cell_formula_units_Z            2
_cell_length_a                   12.0626(6)
_cell_length_b                   41.7140(10)
_cell_length_c                   5.4588(3)
_cell_measurement_temperature    293
_cell_volume                     2314.7(2)
_computing_cell_refinement       UnitCell
_computing_data_reduction        MRIA
_computing_molecular_graphics    PLATON
_computing_structure_refinement  MRIA
_computing_structure_solution    MRIA
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'ESRF BM16'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .699716
_exptl_absorpt_coefficient_mu    .05
_exptl_absorpt_correction_type   none
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_all   3.9
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     731
_refine_ls_number_restraints     251
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            na0112.cif
_cod_data_source_block           MMM
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'None' changed to 'none' 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 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               2103655
Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data
van Langevelde, Arjen; Peschar, René; Schenk, Henk; Acta Crystallographica Section B 57 (2001) 372–377; doi:10.1107/S0108768100019121

data_2103656
_publ_section_title
;
 Structure of \b-trimyristin and \b-tristearin from high-resolution
 X-ray powder diffraction data
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              372
_journal_page_last               377
_journal_paper_doi               10.1107/S0108768100019121
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'C57 H110 O6'
_chemical_formula_weight         891.50
_chemical_name_common            '\b-tristearin (SSS)'
_chemical_name_systematic
;
 \b-1,2,3-tri-octadecanoyl-glycerol
;
_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                73.752(5)
_cell_angle_beta                 100.256(6)
_cell_angle_gamma                117.691(5)
_cell_formula_units_Z            2
_cell_length_a                   12.0053(7)
_cell_length_b                   51.902(2)
_cell_length_c                   5.4450(3)
_cell_measurement_temperature    293
_cell_volume                     2879.6(3)
_computing_cell_refinement       UnitCell
_computing_data_reduction        MRIA
_computing_molecular_graphics    PLATON
_computing_structure_refinement  MRIA
_computing_structure_solution    MRIA
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'ESRF BM16'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .650515
_exptl_absorpt_coefficient_mu    .05
_exptl_absorpt_correction_type   none
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_all   4.4
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     906
_refine_ls_number_restraints     323
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            na0112.cif
_cod_data_source_block           SSS
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'None' changed to 'none' 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 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               2103656
Structure determination of the [Fe(teec)~6~](BF~4~)~2~ metal complex from laboratory and synchrotron X-ray powder diffraction data with grid-search techniques
Dova, Eva; Stassen, Arno F.; Driessen, René A. J.; Sonneveld, Ed; Goubitz, Kees; Peschar, René; Haasnoot, Jaap G.; Reedijk, Jan; Schenk, Henk; Acta Crystallographica Section B 57 (2001) 531–538; doi:10.1107/S010876810100828X

data_2103717
_publ_section_title
;
 Structure determination of the [Fe(teec)~6~](BF~4~)~2~ metal complex
 from laboratory and synchrotron X-ray powder diffraction data with
 grid-search techniques
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              531
_journal_page_last               538
_journal_paper_doi               10.1107/S010876810100828X
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'C18 H30 Cl6 Fe N24, 2(B F4)'
_chemical_formula_sum            'C18 H30 B2 Cl6 F8 Fe N24'
_chemical_formula_weight         1024.83
_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                 90.555(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.1966(11)
_cell_length_b                   17.9677(13)
_cell_length_c                   10.5667(8)
_cell_measurement_temperature    0
_cell_volume                     2315.5(3)
_computing_publication_material  'PLATON (Spek, 1990)'
_diffrn_radiation_type           '?? K\a'
_diffrn_radiation_wavelength     .99542
_diffrn_reflns_reduction_process
;
 ?
;
_exptl_absorpt_correction_type   ' ?               '
_exptl_crystal_colour            ' ?               '
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       ' ?               '
_exptl_crystal_F_000             1032
_refine_ls_abs_structure_Flack   none
_refine_ls_hydrogen_treatment    'see text         '
_refine_ls_number_restraints     0
_refine_ls_weighting_scheme      ?
_cod_data_source_file            na0120.cif
_cod_data_source_block           stassen
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2103717
Bulk modulus and non-uniform compression of Nb~3~Te~4~ and In~<i>x~</i>Nb~3~Te~4~ (<i>x</i> < 1) channel compounds
Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; van Smaalen, Sander; Acta Crystallographica Section B 57 (2001) 665–672; doi:10.1107/S0108768101011685

data_2103729
_publ_section_title
;
 Bulk modulus and non-uniform compression of Nb~3~Te~4~ and
 In~<i>x~</i>Nb~3~Te~4~ (<i>x</i> < 1) channel compounds
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              665
_journal_page_last               672
_journal_paper_doi               10.1107/S0108768101011685
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'In0.54 Nb3 Te4'
_chemical_formula_sum            'In0.54 Nb3 Te4'
_chemical_formula_weight         851.1
_chemical_name_systematic
;
?
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.6768(3)
_cell_length_b                   10.6768(3)
_cell_length_c                   3.65660(10)
_cell_measurement_temperature    295
_cell_volume                     360.986(17)
_computing_cell_refinement       Jana2000
_computing_data_reduction        FIT2D
_computing_structure_refinement  Jana2000
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'ESRF ID15B'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .13918
_exptl_absorpt_coefficient_mu    14.5
_exptl_absorpt_correction_type   none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.61
_refine_ls_number_parameters     22
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            ck0007.cif
_cod_data_source_block           innbte
_cod_original_cell_volume        360.99(2)
_cod_database_code               2103729
Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction
Tedesco, Consiglia; Dinnebier, Robert E.; Olbrich, Falk; van Smaalen, Sander; Acta Crystallographica Section B 57 (2001) 673–679; doi:10.1107/S010876810101237X

data_2103734
_publ_section_title
;
 Disordered crystal structure of pentamethylcyclopentadienylsodium as
 seen by high-resolution X-ray powder diffraction
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              673
_journal_page_last               679
_journal_paper_doi               10.1107/S010876810101237X
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'C10 H15 Na'
_chemical_formula_weight         158.22
_chemical_name_systematic        ' pentamethylcyclopentadienylsodium'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.61030(3)
_cell_length_b                   16.4621(3)
_cell_length_c                   14.6751(2)
_cell_measurement_temperature    298
_cell_volume                     1113.77(3)
_computing_cell_refinement       GSAS
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      295
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_wavelength     .491213(2)
_refine_ls_goodness_of_fit_all   .41
_refine_ls_matrix_type           full
_refine_ls_number_parameters     9
_cod_data_source_file            na0125.cif
_cod_data_source_block           I
_cod_original_cell_volume        1113.77(4)
_cod_original_sg_symbol_H-M      Cmcm
_cod_original_formula_sum        'Na C10 H15'
_cod_database_code               2103734