LMucko/crystallography-open-database huggingface dataset:
Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~
Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.; Acta Crystallographica Section B 53 (1997) 102–112; doi:10.1107/S0108768196010403

data_2101692
_publ_section_title
;
 Distortion Characteristics Across the Structural Phase Transition in
 (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              102
_journal_page_last               112
_journal_paper_doi               10.1107/S0108768196010403
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Cu O4 W'
_chemical_formula_weight         311.4
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.3530(16)
_cell_angle_beta                 92.5081(14)
_cell_angle_gamma                97.2047(15)
_cell_formula_units_Z            2
_cell_length_a                   4.70953(16)
_cell_length_b                   5.84516(14)
_cell_length_c                   4.88492(8)
_cell_volume                     133.246(6)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.227
_cod_data_source_file            ha0150.cif
_cod_data_source_block           0
_cod_original_cell_volume        133.246(7)
_cod_original_formula_sum        'Cu1 O4 W1'
_cod_database_code               2101692
4<i>f</i>-Electron Density Distribution in Crystals of CeB~6~ at 165 K and its Analysis Based on the Crystal Field Theory
Tanaka, K.; Kato, Y.; Onuki, Y.; Acta Crystallographica Section B 53 (1997) 143–152; doi:10.1107/S0108768196009019

data_2101693
_publ_section_title
;
 4<i>f</i>-Electron Density Distribution in Crystals of CeB~6~ at 165 K
 and its Analysis Based on the Crystal Field Theory
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              143
_journal_page_last               152
_journal_paper_doi               10.1107/S0108768196009019
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'B6 Ce'
_chemical_formula_weight         204.98
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.13814(4)
_cell_length_b                   4.13814(4)
_cell_length_c                   4.13814(4)
_cell_measurement_temperature    165
_cell_volume                     70.8623(12)
_diffrn_measurement_device       'MAC Science MXC3'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    15.996
_exptl_crystal_density_diffrn    4.80330
_exptl_crystal_description       sphere
_exptl_crystal_size_rad          0.036
_cod_data_source_file            oa0003.cif
_cod_data_source_block           oa0003a
_cod_original_cell_volume        70.863(2)
_cod_database_code               2101693
Room-Temperatrue Structure and Geometrical Analysis of the Cubic‒Tetragonal Phase Transition in Dodecasil 3C-THF
Knorr, K.; Depmeier, W.; Acta Crystallographica Section B 53 (1997) 18–24; doi:10.1107/S010876819600972X

data_2101696
_publ_section_title
;
 Room-Temperatrue Structure and Geometrical Analysis of the
 Cubic--Tetragonal Phase Transition in Dodecasil 3C-THF
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              18
_journal_page_last               24
_journal_paper_doi               10.1107/S010876819600972X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C4 H8 O35 Si17'
_chemical_formula_weight         1113.6
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_atom_type_scat_source           IntTabC
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.684(2)
_cell_length_b                   13.684(2)
_cell_length_c                   19.482(5)
_cell_measurement_temperature    298
_cell_volume                     3648.0(12)
_diffrn_measurement_device       MAR-RESEARCH
_diffrn_measurement_method       'Image plate'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12138
_diffrn_reflns_theta_max         22.45
_exptl_absorpt_coefficient_mu    0.71
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.991
_exptl_crystal_description       pyramidal
_exptl_crystal_F_000             2220
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.028
_refine_diff_density_max         0.90
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.147
_refine_ls_hydrogen_treatment    'H atoms not located'
_refine_ls_number_parameters     117
_refine_ls_number_reflns         1176
_refine_ls_R_factor_obs          0.034
_refine_ls_shift/esd_max         6.25
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;w = 1/[\s^2^(F~o~^2^) + (0.056P)^2^ + 10.66P] where
P = 1/3[max(F~o~^2^,0) + 2F~c~^2^]
;
_refine_ls_wR_factor_obs         0.094
_reflns_number_total             1176
_cod_data_source_file            se0181.cif
_cod_data_source_block           se0181a
_cod_original_cell_volume        3648(2)
_cod_original_sg_symbol_H-M      'I 41/a {origin @ -1 on glide plane b}'
_cod_database_code               2101696
Pressure-Induced <i>Fm</i>-3<i>m</i> <i>R</i>-3 Phase Transition in NaSbF~6~
Sowa, H.; Acta Crystallographica Section B 53 (1997) 25–31; doi:10.1107/S010876819601066X

data_2101697
_publ_section_title
;
 Pressure-Induced <i>Fm</i>-3<i>m</i> <i>R</i>-3 Phase Transition in
 NaSbF~6~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              25
_journal_page_last               31
_journal_paper_doi               10.1107/S010876819601066X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'F6 Na Sb'
_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                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.198(2)
_cell_length_b                   8.198(2)
_cell_length_c                   8.198(2)
_cell_measurement_reflns_used    25
_cell_measurement_theta_max      20
_cell_measurement_theta_min      12
_cell_volume                     551.0(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.119
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_ls_R_factor_obs          0.0225
_reflns_number_total             47
_cod_data_source_file            se0203.cif
_cod_data_source_block           se0203a
_cod_original_cell_volume        550.9(3)
_cod_original_formula_sum        'Na1 Sb1 F6'
_cod_database_code               2101697
A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates
Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert; Acta Crystallographica, Section B 53 (1997) 203–220; doi:10.1107/S0108768196012335

data_2101698
_publ_section_title
; A Modulation Wave Approach to the Structural Characterisation of
Three New Cristobalite-related Sodium Magnesiosilicates
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              203
_journal_page_last               220
_journal_paper_doi               10.1107/S0108768196012335
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Mg Na2 O4 Si'
_chemical_formula_weight         162.37
_chemical_name_systematic
;
Sodium magnesiosilicate
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.835(5)
_cell_length_b                   5.279(12)
_cell_length_c                   7.067(8)
_cell_measurement_temperature    293
_cell_volume                     404.2(4)
_computing_data_collection       'Siemens ...?'
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Siemens D-5000'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_theta_max         40.0
_diffrn_reflns_theta_min         5.0
_exptl_absorpt_coefficient_mu    7.596
_exptl_absorpt_correction_type   analytical
_exptl_crystal_density_diffrn    2.668
_exptl_crystal_F_000             319.87
_cod_data_source_file            ab0354.cif
_cod_original_formula_sum        'Na2 Mg1 Si1 O4'
_cod_database_code               2101698
A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates
Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert; Acta Crystallographica, Section B 53 (1997) 203–220; doi:10.1107/S0108768196012335

data_2101699
_publ_section_title
; A Modulation Wave Approach to the Structural Characterisation of
Three New Cristobalite-related Sodium Magnesiosilicates
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              203
_journal_page_last               220
_journal_paper_doi               10.1107/S0108768196012335
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Mg Na2 O4 Si'
_chemical_formula_weight         162.37
_chemical_name_systematic
;
Sodium magnesiosilicate
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.835(5)
_cell_length_b                   5.279(12)
_cell_length_c                   7.067(8)
_cell_measurement_temperature    293
_cell_volume                     404.2(4)
_computing_data_collection       'Siemens ...?'
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Siemens D-5000'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_theta_max         40.0
_diffrn_reflns_theta_min         5.0
_exptl_absorpt_coefficient_mu    7.596
_exptl_absorpt_correction_type   analytical
_exptl_crystal_density_diffrn    2.668
_exptl_crystal_F_000             319.87
_cod_data_source_file            ab0354.cif
_cod_original_formula_sum        'Na2 Mg1 Si1 O4'
_cod_database_code               2101699
A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates
Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert; Acta Crystallographica, Section B 53 (1997) 203–220; doi:10.1107/S0108768196012335

data_2101700
_publ_section_title
; A Modulation Wave Approach to the Structural Characterisation of
Three New Cristobalite-related Sodium Magnesiosilicates
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              203
_journal_page_last               220
_journal_paper_doi               10.1107/S0108768196012335
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Mg Na2 O4 Si'
_chemical_formula_weight         162.37
_chemical_name_systematic
;
Sodium magnesiosilicate
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.835(5)
_cell_length_b                   5.279(12)
_cell_length_c                   7.067(8)
_cell_measurement_temperature    293
_cell_volume                     404.2(4)
_computing_data_collection       'Siemens ...?'
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Siemens D-5000'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_theta_max         40.0
_diffrn_reflns_theta_min         5.0
_exptl_absorpt_coefficient_mu    7.596
_exptl_absorpt_correction_type   analytical
_exptl_crystal_density_diffrn    2.668
_exptl_crystal_F_000             319.87
_cod_data_source_file            ab0354.cif
_cod_original_formula_sum        'Na2 Mg1 Si1 O4'
_cod_database_code               2101700
A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates
Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert; Acta Crystallographica, Section B 53 (1997) 203–220; doi:10.1107/S0108768196012335

data_2101701
_publ_section_title
; A Modulation Wave Approach to the Structural Characterisation of
Three New Cristobalite-related Sodium Magnesiosilicates
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              203
_journal_page_last               220
_journal_paper_doi               10.1107/S0108768196012335
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Mg Na2 O4 Si'
_chemical_formula_weight         162.37
_chemical_name_systematic
;
Sodium magnesiosilicate
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.835(5)
_cell_length_b                   5.279(12)
_cell_length_c                   7.067(8)
_cell_measurement_temperature    293
_cell_volume                     404.2(4)
_computing_data_collection       'Siemens ...?'
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Siemens D-5000'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_theta_max         40.0
_diffrn_reflns_theta_min         5.0
_exptl_absorpt_coefficient_mu    7.596
_exptl_absorpt_correction_type   analytical
_exptl_crystal_density_diffrn    2.668
_exptl_crystal_F_000             319.87
_cod_data_source_file            ab0354.cif
_cod_original_formula_sum        'Na2 Mg1 Si1 O4'
_cod_database_code               2101701
A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates
Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert; Acta Crystallographica Section B 53 (1997) 203–220; doi:10.1107/S0108768196012335

data_2101702
_publ_section_title
;
 A Modulation Wave Approach to the Structural Characterization of Three
 New Cristobalite-Related Sodium Magnesiosilicates
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              203
_journal_page_last               220
_journal_paper_doi               10.1107/S0108768196012335
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Al0.15 Mg0.79 Na1.74 O4 Si1.06'
_chemical_formula_weight         157.02
_chemical_name_systematic
;
Sodium magnesiosilicate
;
_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                   10.487(7)
_cell_length_b                   14.351(4)
_cell_length_c                   5.243(6)
_cell_measurement_temperature    293
_cell_volume                     789.1(11)
_computing_data_collection       'Siemens ...?'
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Siemens D-5000'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_theta_max         40.0
_diffrn_reflns_theta_min         5.0
_exptl_absorpt_coefficient_mu    7.670
_exptl_absorpt_correction_type   analytical
_exptl_crystal_density_diffrn    2.643
_exptl_crystal_F_000             619.04
_cod_data_source_file            ab0354.cif
_cod_data_source_block           Na1point74
_cod_original_cell_volume        789.1(6)
_cod_original_formula_sum        'Na1.74 Mg0.79 Al0.15 Si1.06 O4'
_cod_database_code               2101702
A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates
Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert; Acta Crystallographica Section B 53 (1997) 203–220; doi:10.1107/S0108768196012335

data_2101703
_publ_section_title
;
 A Modulation Wave Approach to the Structural Characterization of Three
 New Cristobalite-Related Sodium Magnesiosilicates
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              203
_journal_page_last               220
_journal_paper_doi               10.1107/S0108768196012335
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Mg0.9 Na1.8 O4 Si1.1'
_chemical_formula_weight         158.15
_chemical_name_systematic
;
Sodium magnesiosilicate
;
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.330(6)
_cell_length_b                   5.330(6)
_cell_length_c                   7.086(5)
_cell_measurement_temperature    293
_cell_volume                     201.3(4)
_computing_data_collection       'Siemens ...?'
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Siemens D-5000'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_theta_max         40.0
_diffrn_reflns_theta_min         5.0
_exptl_absorpt_coefficient_mu    7.544
_exptl_absorpt_correction_type   analytical
_exptl_crystal_density_diffrn    2.609
_exptl_crystal_F_000             155.94
_cod_data_source_file            ab0354.cif
_cod_data_source_block           Na1point8
_cod_original_cell_volume        201.3(2)
_cod_original_formula_sum        'Na1.8 Mg0.9 Si1.1 O4'
_cod_database_code               2101703
Rutile Superstructure of Sb~0.9~V~1.1~O~4~
Landa-Cánovas, A. R.; Hansen, S.; Ståhl, K.; Acta Crystallographica Section B 53 (1997) 221–230; doi:10.1107/S0108768196012955

data_2101704
_publ_section_title
;
 Rutile Superstructure of Sb~0.9~V~1.1~O~4~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              221
_journal_page_last               230
_journal_paper_doi               10.1107/S0108768196012955
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'O4 Sb0.92 V1.08'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.60850(10)
_cell_length_b                   4.60850(10)
_cell_length_c                   3.08670(10)
_cell_volume                     65.556(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_cod_data_source_file            ab0356.cif
_cod_data_source_block           ab0356a
_cod_database_code               2101704
Rutile Superstructure of Sb~0.9~V~1.1~O~4~
Landa-Cánovas, A. R.; Hansen, S.; Ståhl, K.; Acta Crystallographica Section B 53 (1997) 221–230; doi:10.1107/S0108768196012955

data_2101705
_publ_section_title
;
 Rutile Superstructure of Sb~0.9~V~1.1~O~4~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              221
_journal_page_last               230
_journal_paper_doi               10.1107/S0108768196012955
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'O4 Sb0.9 V1.1'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 41b -2'
_symmetry_space_group_name_H-M   'I 41 m d'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.5174
_cell_length_b                   6.5174
_cell_length_c                   6.1734
_cell_volume                     262.224
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_cod_data_source_file            ab0356.cif
_cod_data_source_block           ab0356b
_cod_database_code               2101705