LMucko/crystallography-open-database huggingface dataset:
Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction
Henry, Paul F.; Weller, Mark T.; Wilson, Chick C.; Journal of Applied Crystallography 36 (2003) 1361–1367; doi:10.1107/S0021889803017515

data_2300037
_publ_section_title
;
 Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using
 isotopic substitution and powder neutron diffraction
;
_journal_issue                   6
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1361
_journal_page_last               1367
_journal_paper_doi               10.1107/S0021889803017515
_journal_volume                  36
_journal_year                    2003
_chemical_formula_sum            'Cu0.5 Fe O4 P'
_chemical_formula_weight         182.59
_chemical_name_systematic        ' ?'
_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                90.0
_cell_angle_beta                 90.8909(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.98701(2)
_cell_length_b                   4.719891(17)
_cell_length_c                   10.35657(4)
_cell_volume                     292.6209(18)
_cod_data_source_file            he0320.cif
_cod_data_source_block           MULTI_phase_3
_cod_original_cell_volume        292.62106
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Cu0.50 Fe1.00 O4 P'
_cod_database_code               2300037
Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction
Henry, Paul F.; Weller, Mark T.; Wilson, Chick C.; Journal of Applied Crystallography 36 (2003) 1361–1367; doi:10.1107/S0021889803017515

data_2300038
_publ_section_title
;
 Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using
 isotopic substitution and powder neutron diffraction
;
_journal_issue                   6
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1361
_journal_page_last               1367
_journal_paper_doi               10.1107/S0021889803017515
_journal_volume                  36
_journal_year                    2003
_chemical_formula_sum            'Ni3 O8 P2'
_chemical_formula_weight         366.07
_chemical_name_systematic        ' ?'
_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                90.0
_cell_angle_beta                 91.1288(16)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.83104(15)
_cell_length_b                   4.69778(13)
_cell_length_c                   10.1098(3)
_cell_volume                     276.883(13)
_cod_data_source_file            he0320.cif
_cod_data_source_block           ISO192C_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 

The following automatic conversions were performed:

'_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).

'_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 (26 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        276.88376
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2300038
Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction
Henry, Paul F.; Weller, Mark T.; Wilson, Chick C.; Journal of Applied Crystallography 36 (2003) 1361–1367; doi:10.1107/S0021889803017515

data_2300039
_publ_section_title
;
 Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using
 isotopic substitution and powder neutron diffraction
;
_journal_issue                   6
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1361
_journal_page_last               1367
_journal_paper_doi               10.1107/S0021889803017515
_journal_volume                  36
_journal_year                    2003
_chemical_formula_sum            'Ni2 O7 P2'
_chemical_formula_weight         291.36
_chemical_name_systematic        ' ?'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'B 21/c'
_cell_angle_alpha                90.0
_cell_angle_beta                 104.949(9)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   13.1459(16)
_cell_length_b                   8.2711(11)
_cell_length_c                   8.9714(11)
_cell_volume                     942.5(2)
_cod_data_source_file            he0320.cif
_cod_data_source_block           ISO192C_phase_2
_cod_original_cell_volume        942.45276
_cod_database_code               2300039
Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction
Henry, Paul F.; Weller, Mark T.; Wilson, Chick C.; Journal of Applied Crystallography 36 (2003) 1361–1367; doi:10.1107/S0021889803017515

data_2300040
_publ_section_title
;
 Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using
 isotopic substitution and powder neutron diffraction
;
_journal_issue                   6
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1361
_journal_page_last               1367
_journal_paper_doi               10.1107/S0021889803017515
_journal_volume                  36
_journal_year                    2003
_chemical_formula_sum            'Fe Ni0.5 O4 P'
_chemical_formula_weight         180.17
_chemical_name_systematic        ' ?'
_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                90.0
_cell_angle_beta                 90.89100(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.994351(10)
_cell_length_b                   4.724935(9)
_cell_length_c                   10.369383(18)
_cell_volume                     293.6557(9)
_cod_data_source_file            he0320.cif
_cod_data_source_block           NAT_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (60 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_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 (60
times).

'_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 (74 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        293.65567
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Fe1.00 Ni0.50 O4 P'
_cod_database_code               2300040
; Journal of Applied Crystallography 37 (2004) 318–324; doi:

data_2300041
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              318
_journal_page_last               324
_journal_volume                  37
_journal_year                    2004
_chemical_formula_sum            'Ag7 Cl O12'
_chemical_formula_weight         982.54
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.955(6)
_cell_length_b                   9.955(6)
_cell_length_c                   9.955(6)
_cell_measurement_temperature    293(2)
_cell_volume                     986.5(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.615
_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_database_code               2300041
Unexpected molecular structure from laboratory powder diffraction data
Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A.; Journal of Applied Crystallography 35 (2002) 669–673; doi:10.1107/S0021889802014012

data_2300043
_publ_section_title
;
 Unexpected molecular structure from laboratory powder diffraction data
;
_journal_issue                   6
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              669
_journal_page_last               673
_journal_paper_doi               10.1107/S0021889802014012
_journal_volume                  35
_journal_year                    2002
_chemical_formula_sum            'C19 H13 N5 O5'
_chemical_formula_weight         391.34
_chemical_name_systematic
;
 2,4-dinitro-N-phenyl-6-(phenyldiazenyl)-benzamide
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.38(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.720(6)
_cell_length_b                   6.831(4)
_cell_length_c                   11.045(6)
_cell_measurement_reflns_used    37
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      18.24
_cell_measurement_theta_min      3.75
_cell_volume                     881.7(8)
_computing_cell_refinement       'LSPAID (Visser, 1986)'
_computing_data_collection       'local program'
_computing_molecular_graphics    'PLATON (Spek, 2001)'
_computing_publication_material  'PARST (Nardelli, 1983)'
_computing_structure_refinement  'MRIA (Zlokazov & Chernyshev, 1992)'
_computing_structure_solution    'MRIA (Zlokazov & Chernyshev, 1992)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type  ' DRON-3M diffractometer (Burevestnik, Russia)'
_diffrn_radiation_monochromator  'Ni filtered'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             404
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.04
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    1
_refine_ls_number_parameters     138
_refine_ls_number_restraints     51
_refine_ls_shift/su_max          .01
_refine_ls_shift/su_mean         .003
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            hw0101.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2300043
Unexpected molecular structure from laboratory powder diffraction data
Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A.; Journal of Applied Crystallography 35 (2002) 669–673; doi:10.1107/S0021889802014012

data_2300044
_publ_section_title
;
 Unexpected molecular structure from laboratory powder diffraction data
;
_journal_issue                   6
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              669
_journal_page_last               673
_journal_paper_doi               10.1107/S0021889802014012
_journal_volume                  35
_journal_year                    2002
_chemical_formula_sum            'C21 H17 N5 O7'
_chemical_formula_weight         451.40
_chemical_name_systematic
;
 N-(2-methoxyphenyl-2-(methoxyphenyldiazenyl)-4,6-dinitrobenzamide
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.788(8)
_cell_length_b                   13.018(6)
_cell_length_c                   6.920(3)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      19.33
_cell_measurement_theta_min      3.86
_cell_volume                     2052.8(15)
_computing_cell_refinement       'LSPAID (Visser, 1986)'
_computing_data_collection       'local program'
_computing_molecular_graphics    'PLATON (Spek, 2001)'
_computing_publication_material  'PARST (Nardelli, 1983)'
_computing_structure_refinement  'MRIA (Zlokazov & Chernyshev, 1992)'
_computing_structure_solution    'MRIA (Zlokazov & Chernyshev, 1992)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type  ' DRON-3M diffractometer (Burevestnik, Russia)'
_diffrn_radiation_monochromator  'Ni filtered'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       0
_exptl_absorpt_coefficient_mu    0.953
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             936
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.14
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    1
_refine_ls_number_parameters     144
_refine_ls_number_restraints     63
_refine_ls_shift/su_max          .01
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            hw0101.cif
_cod_data_source_block           II
_cod_database_code               2300044
Unexpected molecular structure from laboratory powder diffraction data
Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A.; Journal of Applied Crystallography 35 (2002) 669–673; doi:10.1107/S0021889802014012

data_2300045
_publ_section_title
;
 Unexpected molecular structure from laboratory powder diffraction data
;
_journal_issue                   6
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              669
_journal_page_last               673
_journal_paper_doi               10.1107/S0021889802014012
_journal_volume                  35
_journal_year                    2002
_chemical_formula_sum            'C20 H15 N5 O5'
_chemical_formula_weight         405.37
_chemical_name_systematic
;
 N-methyl-2,4-dinitro-N-phenyl-6-(phenyldiazenyl)-benzamide
;
_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                 90.38(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.676(4)
_cell_length_b                   18.560(7)
_cell_length_c                   12.098(6)
_cell_measurement_reflns_used    55
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      20.68
_cell_measurement_theta_min      4.36
_cell_volume                     1948.1(15)
_computing_cell_refinement       'LSPAID (Visser, 1986)'
_computing_data_collection       'local program'
_computing_molecular_graphics    'PLATON (Spek, 2001)'
_computing_publication_material  'PARST (Nardelli, 1983)'
_computing_structure_refinement  'MRIA (Zlokazov & Chernyshev, 1992)'
_computing_structure_solution    'MRIA (Zlokazov & Chernyshev, 1992)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type  ' DRON-3M diffractometer (Burevestnik, Russia)'
_diffrn_radiation_monochromator  'Ni filtered'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             840
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.06
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    1
_refine_ls_number_parameters     142
_refine_ls_number_restraints     53
_refine_ls_shift/su_max          .01
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            hw0101.cif
_cod_data_source_block           III
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2300045
Ab initiostructure determination of the Γ form of D-sorbitol (D-glucitol) by powder synchrotron X-ray diffraction
Rukiah, Mwaffak; Lefebvre, Jacques; Hernandez, Olivier; van Beek, Wouter; Serpelloni, Michel; Journal of Applied Crystallography 37 (2004) 766–772; doi:10.1107/s0021889804016206

data_2300046
_publ_section_title
;
 Ab initiostructure determination of the \G form of D-sorbitol (D-glucitol)
 by powder synchrotron X-ray diffraction
;
_journal_coden_ASTM              JACGAR
_journal_issue                   5
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              766
_journal_page_last               772
_journal_paper_doi               10.1107/s0021889804016206
_journal_volume                  37
_journal_year                    2004
_chemical_formula_moiety         'C6 H14 O6'
_chemical_formula_structural     '(C H2 O H)  (C H O H)4 (C H2 O H)'
_chemical_formula_sum            'C6 H14 O6'
_chemical_formula_weight         182.17
_chemical_name_common            'Gamma Sorbitol'
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            12
_cell_length_a                   24.30122(17)
_cell_length_b                   20.57261(14)
_cell_length_c                   4.86719(3)
_cell_measurement_temperature    293
_cell_volume                     2433.30(3)
_diffrn_ambient_temperature      295
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2300046
Structural analysis of excess-anion C-type rare earth oxide: a case study with Gd~1{-~<i>x</i>}Ce~<i>x~</i>O~1.5+<i>x~/2</i> (<i>x</i> = 0.20 and 0.40)
V. Grover; S. N. Achary; A. K. Tyagi; Journal of Applied Crystallography 36 (2003) 1082–1084; doi:10.1107/S0021889803010288

data_2300049
_publ_section_title
;
 Structural analysis of excess-anion C-type rare earth oxide: a case
 study with Gd~1{-~<i>x</i>}Ce~<i>x~</i>O~1.5+<i>x~/2</i> (<i>x</i> =
 0.20 and 0.40)
;
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1082
_journal_page_last               1084
_journal_paper_doi               10.1107/S0021889803010288
_journal_volume                  36
_journal_year                    2003
_chemical_formula_analytical     Ce0.4Gd0.6O1.70
_chemical_formula_moiety         Gd0.6Ce0.4O1.70
_chemical_formula_structural     '(Gd0.6Ce0.4) (O1.70) '
_chemical_formula_sum            'Ce0.4 Gd0.6 O1.7'
_chemical_formula_weight         177.60
_chemical_name_systematic        'Gadolinium Cerium oxide'
_space_group_IT_number           206
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            32
_cell_length_a                   10.85420(10)
_cell_length_b                   10.85420(10)
_cell_length_c                   10.85420(10)
_cell_measurement_temperature    293
_cell_volume                     1278.77(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Philips PW1710'
_diffrn_measurement_method       ' profile data from theta/2theta scans'
_diffrn_radiation_monochromator  'Graphite 002 face'
_diffrn_radiation_type           X-ray
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    7.38
_refine_ls_number_parameters     1
_refine_ls_number_reflns         266
_refine_ls_number_restraints     0
_cod_data_source_file            ko5000.cif
_cod_data_source_block           I
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1278.760(10)
_cod_original_sg_symbol_H-M      'I A -3'
_cod_original_formula_sum        Gd0.6Ce0.4O1.70
_cod_database_code               2300049