LMucko/crystallography-open-database huggingface dataset:
Phase transformations in Sr0.8Ba0.2CoO2.5 brownmillerite: correlation between structure and transport properties
de la Calle, C.; Alonso, J. A.; Aguadero, A.; Fernández-Díaz, M. T.; Dalton Transactions  (2009) 4104–4114; doi:10.1039/b819369j

data_7001328
_publ_section_title
;
 Phase transformations in Sr0.8Ba0.2CoO2.5 brownmillerite: correlation
 between structure and transport properties
;
_journal_issue                   21
_journal_name_full               'Dalton Transactions'
_journal_page_first              4104
_journal_page_last               4114
_journal_paper_doi               10.1039/b819369j
_journal_year                    2009
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_length_a                   5.5401(20)
_cell_length_b                   15.7754(8)
_cell_length_c                   5.5388(18)
_cell_volume                     484.1(2)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.91000
_diffrn_source                   'nuclear reactor'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050000
_pd_meas_2theta_range_max        151.45000
_pd_meas_2theta_range_min        -10.00000
_pd_meas_number_of_points        3230
_pd_proc_2theta_range_inc        0.050000
_pd_proc_2theta_range_max        151.4380
_pd_proc_2theta_range_min        -10.0120
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.5921
_pd_proc_ls_prof_wR_expected     2.9153
_pd_proc_ls_prof_wR_factor       3.2247
_pd_proc_wavelength              1.910000
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     107
_refine_ls_number_reflns         285
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.4385
_cod_data_source_file            b819369j.txt
_cod_data_source_block           Sr2Co2O5magnetico
_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 

Luca 25/2/2014
Corrected the occupancies and symmetries multiplicities
;
_cod_original_sg_symbol_H-M      'P N M A'
_cod_database_code               7001328
_pd_proc_ls_prof_cr_factor       42.1148
_pd_proc_ls_prof_cwr_factor      20.5747
_pd_proc_ls_prof_cwr_expected    18.6008
_pd_proc_ls_prof_chi2            1.2235
_pd_proc_ls_prof_echi2           1.2485
New crystal structure and characterization of lanthanum tungstate “La6WO12” prepared by freeze-drying synthesis
Magrasó, Anna; Frontera, Carlos; Marrero-López, David; Núñez, Pedro; Dalton Transactions  (2009) 10273–10283; doi:10.1039/b916981b

data_7002845
_publ_section_title
;
 New crystal structure and characterization of lanthanum tungstate
 &#x201C;La6WO12&#x201D; prepared by freeze-drying synthesis
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              10273
_journal_page_last               10283
_journal_paper_doi               10.1039/b916981b
_journal_year                    2009
_space_group_IT_number           216
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_length_a                   11.17800
_cell_length_b                   11.17800
_cell_length_c                   11.17800
_cell_volume                     1396.665
_cod_data_source_file            b916981b.txt
_cod_data_source_block           XLENS
_cod_database_code               7002845
New crystal structure and characterization of lanthanum tungstate “La6WO12” prepared by freeze-drying synthesis
Magrasó, Anna; Frontera, Carlos; Marrero-López, David; Núñez, Pedro; Dalton Transactions  (2009) 10273–10283; doi:10.1039/b916981b

data_7002846
_publ_section_title
;
 New crystal structure and characterization of lanthanum tungstate
 &#x201C;La6WO12&#x201D; prepared by freeze-drying synthesis
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              10273
_journal_page_last               10283
_journal_paper_doi               10.1039/b916981b
_journal_year                    2009
_chemical_formula_moiety         'La26.22 O32 W0.64, O20.51 W4'
_chemical_formula_sum            'La26.22 O52.51 W4.64'
_chemical_formula_weight         5335.99
_chemical_name_systematic        ' ?'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_length_a                   11.18675(7)
_cell_length_b                   11.18675(7)
_cell_length_c                   11.18675(7)
_cell_measurement_temperature    300
_cell_volume                     1399.948(15)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.91124
_diffrn_source                   'nuclear reactor'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.100063
_pd_meas_2theta_range_max        157.89999
_pd_meas_2theta_range_min        0.00000
_pd_meas_number_of_points        1580
_pd_proc_2theta_range_inc        0.100063
_pd_proc_2theta_range_max        158.8607
_pd_proc_2theta_range_min        0.9608
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        4.5097
_pd_proc_ls_prof_wR_expected     3.7260
_pd_proc_ls_prof_wR_factor       6.2709
_pd_proc_wavelength              1.911241
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     14
_refine_ls_number_reflns         90
_refine_ls_number_restraints     2
_refine_ls_R_I_factor            5.7846
_cod_data_source_file            b916981b.txt
_cod_data_source_block           La5.5WO12
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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      'F -4 3 M'
_cod_database_code               7002846
_pd_proc_ls_prof_cr_factor       14.9681
_pd_proc_ls_prof_cwr_factor      12.5278
_pd_proc_ls_prof_cwr_expected    7.4436
_pd_proc_ls_prof_chi2            2.8326
_pd_proc_ls_prof_echi2           2.8326
Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM)
Li, Liang; Schönleber, Andreas; van Smaalen, Sander; Acta Crystallographica Section B 66 (2010) 130–140; doi:10.1107/S0108768110003393

data_2104683
_publ_section_title
;
 Modulation functions of incommensurately modulated Cr~2~P~2~O~7~
 studied by the maximum entropy method (MEM)
;
_journal_coeditor_code           BP5028
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              130
_journal_page_last               140
_journal_paper_doi               10.1107/S0108768110003393
_journal_volume                  66
_journal_year                    2010
_chemical_formula_sum            'Cr2 O7 P2'
_chemical_formula_weight         277.9
_chemical_name_systematic        ' ?'
_space_group_ssg_name            C2/m(\a0\g)-1s
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 108.6111
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0192
_cell_length_b                   8.4063
_cell_length_c                   4.6264
_cell_modulation_dimension       1
_cell_volume                     258.708
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_diffrn_ambient_temperature      293
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.799
_exptl_absorpt_correction_T_max  0.67729
_exptl_absorpt_correction_T_min  0.43451
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.27p5 beta
Analytical numeric absorption correction using a multifaceted crystal
model.
;
_exptl_crystal_density_diffrn    3.5667
_exptl_crystal_F_000             268
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.47
_refine_ls_extinction_coef       62E1(10)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_ref   1.58
_refine_ls_number_constraints    46
_refine_ls_number_parameters     170
_refine_ls_number_reflns         2409
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0217
_refine_ls_shift/su_max          0.0003
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0004F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0396
_refine_ls_wR_factor_ref         0.0568
_reflns_number_gt                1433
_reflns_number_total             2409
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            bp5028.cif
_cod_data_source_block           I
_cod_original_cell_volume        258.7078
_cod_database_code               2104683
Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM)
Li, Liang; Schönleber, Andreas; van Smaalen, Sander; Acta Crystallographica Section B 66 (2010) 130–140; doi:10.1107/S0108768110003393

data_2104684
_publ_section_title
;
 Modulation functions of incommensurately modulated Cr~2~P~2~O~7~
 studied by the maximum entropy method (MEM)
;
_journal_coeditor_code           BP5028
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              130
_journal_page_last               140
_journal_paper_doi               10.1107/S0108768110003393
_journal_volume                  66
_journal_year                    2010
_chemical_formula_sum            'Cr2 O7 P2'
_chemical_formula_weight         277.9
_chemical_name_systematic        ' ?'
_space_group_ssg_name            C2/m(\a0\g)0s
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 108.6111
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0192
_cell_length_b                   8.4063
_cell_length_c                   4.6264
_cell_modulation_dimension       1
_cell_volume                     258.708
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_diffrn_ambient_temperature      293
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.799
_exptl_absorpt_correction_T_max  0.67729
_exptl_absorpt_correction_T_min  0.43451
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.27p5 beta
Analytical numeric absorption correction using a multifaceted crystal
model.
;
_exptl_crystal_density_diffrn    3.5667
_exptl_crystal_F_000             268.0
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.48
_refine_ls_extinction_coef       594.45
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_cod_data_source_file            bp5028.cif
_cod_data_source_block           B
_cod_original_cell_volume        258.7078
_cod_database_code               2104684
_cod_database_fobs_code          2104684
Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM)
Li, Liang; Schönleber, Andreas; van Smaalen, Sander; Acta Crystallographica Section B 66 (2010) 130–140; doi:10.1107/S0108768110003393

data_2104685
_publ_section_title
;
 Modulation functions of incommensurately modulated Cr~2~P~2~O~7~
 studied by the maximum entropy method (MEM)
;
_journal_coeditor_code           BP5028
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              130
_journal_page_last               140
_journal_paper_doi               10.1107/S0108768110003393
_journal_volume                  66
_journal_year                    2010
_chemical_formula_sum            'Cr2 O7 P2'
_chemical_formula_weight         277.9
_chemical_name_systematic        ' ?'
_space_group_ssg_name            C2/m(\a0\g)-1s
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 108.6111
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0192
_cell_length_b                   8.4063
_cell_length_c                   4.6264
_cell_modulation_dimension       1
_cell_volume                     258.708
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_diffrn_ambient_temperature      293
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.799
_exptl_absorpt_correction_T_max  0.67729
_exptl_absorpt_correction_T_min  0.43451
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.27p5 beta
Analytical numeric absorption correction using a multifaceted crystal
model.
;
_exptl_crystal_density_diffrn    3.5667
_exptl_crystal_F_000             268
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.47
_refine_ls_extinction_coef       62E1(10)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_ref   1.58
_refine_ls_number_constraints    46
_refine_ls_number_parameters     170
_refine_ls_number_reflns         2409
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0217
_refine_ls_shift/su_max          0.0003
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0004F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0396
_refine_ls_wR_factor_ref         0.0568
_reflns_number_gt                1433
_reflns_number_total             2409
_reflns_threshold_expression     I>3\s(I)
_cod_duplicate_entry             2104683
_cod_data_source_file            bp5028.cif
_cod_data_source_block           M
_cod_original_cell_volume        258.7078
_cod_database_code               2104685
_cod_database_fobs_code          2104685
Mullite-type Ga~4~B~2~O~9~: structure and order‒disorder phenomenon
Cong, Rihong; Yang, Tao; Li, Kuo; Li, Hongmei; You, Liping; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua; Acta Crystallographica Section B 66 (2010) 141–150; doi:10.1107/S0108768110000650

data_2104689
_publ_section_title
;
 Mullite-type Ga~4~B~2~O~9~: structure and order--disorder phenomenon
;
_journal_coeditor_code           KD5038
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              141
_journal_page_last               150
_journal_paper_doi               10.1107/S0108768110000650
_journal_volume                  66
_journal_year                    2010
_chemical_formula_moiety         'B2 Ga4 O9'
_chemical_formula_sum            'B2 Ga4 O9'
_chemical_formula_weight         444.50
_chemical_name_systematic        ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   geom
_cell_angle_alpha                90
_cell_angle_beta                 135.2372(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.3658(2)
_cell_length_b                   5.72177(5)
_cell_length_c                   10.99870(10)
_cell_measurement_pressure       101
_cell_measurement_temperature    293
_cell_volume                     680.936(15)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Bruker Advance 8'
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.540596
_exptl_crystal_density_diffrn    4.337
_exptl_crystal_F_000             824.0
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0144
_pd_meas_2theta_range_max        119.9876
_pd_meas_2theta_range_min        8
_pd_meas_number_of_points        7779
_pd_meas_scan_method             step
_pd_prep_temperature             488
_pd_proc_ls_background_function  '6 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0644
_pd_proc_ls_prof_wR_expected     0.0125
_pd_proc_ls_prof_wR_factor       0.0857
_pd_spec_mounting                'capillary (0.3 mm)'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   irregular
_refine_ls_goodness_of_fit_all   2.0567
_refine_ls_number_constraints    4
_refine_ls_number_parameters     46
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          .01
_refine_ls_weighting_details     1/[Y~i~]
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            kd5038.cif
_cod_data_source_block           znvoprofile
_cod_database_code               2104689
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Fortes, A. D.; Wood, I. G.; Knight, K. S.; Journal of Applied Crystallography 43 (2010) 328–336; doi:10.1107/S0021889810005595

data_2300266
_publ_section_title
;
 The crystal structure of perdeuterated methanol hemiammoniate
 (CD~3~OD&#x00B7;0.5ND~3~) determined from neutron powder diffraction
 data at 4.2 and 180K
;
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              328
_journal_page_last               336
_journal_paper_doi               10.1107/S0021889810005595
_journal_volume                  43
_journal_year                    2010
_chemical_formula_sum            'C D7 N O'
_chemical_formula_weight         56.11
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   11.0386(4)
_cell_length_b                   7.65471(34)
_cell_length_c                   7.58467(33)
_cell_volume                     640.88(5)
_pd_block_id
2009-08-21T14:51|METHANOL_HEMIAMMONIA_phase1|Fortes||
_pd_phase_name                   'methanol monoammoniate d7'
_cod_data_source_file            db5076.cif
_cod_data_source_block           METHANOL_HEMIAMMONIA_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (10
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (34 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        640.883(28)
_cod_database_code               2300266
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Fortes, A. D.; Wood, I. G.; Knight, K. S.; Journal of Applied Crystallography 43 (2010) 328–336; doi:10.1107/S0021889810005595

data_2300267
_publ_section_title
;
 The crystal structure of perdeuterated methanol hemiammoniate
 (CD~3~OD&#x00B7;0.5ND~3~) determined from neutron powder diffraction
 data at 4.2 and 180K
;
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              328
_journal_page_last               336
_journal_paper_doi               10.1107/S0021889810005595
_journal_volume                  43
_journal_year                    2010
_chemical_formula_sum            'C2 D11 N O2'
_chemical_formula_weight         92.18
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.70615(16)
_cell_length_b                   8.84589(9)
_cell_length_c                   4.73876(4)
_cell_volume                     532.623(10)
_pd_block_id
2009-08-21T14:51|METHANOL_HEMIAMMONIA_phase2|Fortes||
_pd_phase_name                   'methanol hemiammoniate'
_cod_data_source_file            db5076.cif
_cod_data_source_block           METHANOL_HEMIAMMONIA_phase_2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (17
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (62 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        532.623(8)
_cod_database_code               2300267