LMucko/crystallography-open-database huggingface dataset:
Crystal structure of moganite-type phosphorus oxynitride: relationship to other twinned-quartz-based structures
Haines, J.; Chateau, C.; Léger, J. M.; Le Sauze, A.; Diot, N.; Marchand, R.; Hull, S.; Acta Crystallographica Section B 55 (1999) 677–682; doi:10.1107/S010876819900347X

data_2105557
_publ_section_title
;
 Crystal structure of moganite-type phosphorus oxynitride: relationship to
 other twinned-quartz-based structures
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              677
_journal_page_last               682
_journal_paper_doi               10.1107/S010876819900347X
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'N O P'
_chemical_formula_sum            'N O P'
_chemical_formula_weight         60.98
_chemical_name_systematic
;
phosphorus oxynitride
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_type_scat_source           'GSAS (Larson and Von Dreele, 1994)'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.013(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            12
_cell_length_a                   8.5194(2)
_cell_length_b                   4.74480(10)
_cell_length_c                   10.3970(3)
_cell_measurement_temperature    298
_cell_volume                     420.276(18)
_computing_structure_refinement  'GSAS (Larson and Von Dreele, 1994)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Polaris medium resolution diffractometer'
_diffrn_measurement_method       tof
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         ISIS_spallation_source
_diffrn_radiation_type           neutron
_exptl_absorpt_correction_type   none
_refine_ls_number_constraints    0
_refine_ls_number_parameters     37
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          .13
_refine_ls_shift/su_mean         .02
_cod_data_source_file            br0087.cif
_cod_data_source_block           PON
_cod_original_cell_volume        420.270(10)
_cod_database_code               2105557
Experimental Charge Density and Electrostatic Potential of Triglycine
Pichon-Pesme, V.; Lecomte, C.; Acta Crystallographica Section B 54 (1998) 485–493; doi:10.1107/S0108768197017953

data_2105558
_publ_section_title
;
 Experimental Charge Density and Electrostatic Potential of Triglycine
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              485
_journal_page_last               493
_journal_paper_doi               10.1107/S0108768197017953
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C6 H11 N3 O4'
_chemical_formula_weight         189.2
_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                89.28(3)
_cell_angle_beta                 95.55(2)
_cell_angle_gamma                104.484(8)
_cell_formula_units_Z            4
_cell_length_a                   11.5850(10)
_cell_length_b                   14.603(2)
_cell_length_c                   4.800(4)
_cell_volume                     782.5(7)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .7107
_exptl_absorpt_coefficient_mu    .15
_exptl_crystal_density_diffrn    1.61
_cod_data_source_file            bs0002.cif
_cod_data_source_block           bs0002a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_database_code               2105558
Low-Temperature Synchrotron Radiation Study of a Twinned Disordered Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C~60~
Iversen, B. B.; Darovsky, A.; Bolotovsky, R.; Coppens, P.; Acta Crystallographica Section B 54 (1998) 174–179; doi:10.1107/S0108768197012007

data_2105664
_publ_section_title
;
 Low-Temperature Synchrotron Radiation Study of a Twinned Disordered
 Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C~60~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              174
_journal_page_last               179
_journal_paper_doi               10.1107/S0108768197012007
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C73 H8 Br2'
_chemical_formula_weight         1044.68
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 102.440(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.863(2)
_cell_length_b                   17.360(10)
_cell_length_c                   11.19(5)
_cell_measurement_reflns_used    14
_cell_measurement_theta_max      12
_cell_measurement_theta_min      5
_cell_volume                     1871(8)
_diffrn_measurement_method       'phi rotation'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6430(10)
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_theta_max         21.9
_exptl_absorpt_coefficient_mu    2.202
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_F_000             1032
_reflns_number_observed          1980
_cod_data_source_file            bk0044.cif
_cod_data_source_block           bk0044a
_cod_original_cell_volume        1871
_cod_database_code               2105664
Low-Temperature Synchrotron Radiation Study of a Twinned Disordered Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C~60~
Iversen, B. B.; Darovsky, A.; Bolotovsky, R.; Coppens, P.; Acta Crystallographica Section B 54 (1998) 174–179; doi:10.1107/S0108768197012007

data_2105665
_publ_section_title
;
 Low-Temperature Synchrotron Radiation Study of a Twinned Disordered
 Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C~60~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              174
_journal_page_last               179
_journal_paper_doi               10.1107/S0108768197012007
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C73 H8 Br2'
_chemical_formula_weight         1044.68
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 102.440(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.863(2)
_cell_length_b                   17.360(10)
_cell_length_c                   11.19(5)
_cell_measurement_reflns_used    14
_cell_measurement_theta_max      12
_cell_measurement_theta_min      5
_cell_volume                     1871(8)
_diffrn_measurement_method       'phi rotation'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6430(10)
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_theta_max         21.9
_exptl_absorpt_coefficient_mu    2.202
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_F_000             1032
_reflns_number_observed          1980
_cod_data_source_file            bk0044.cif
_cod_data_source_block           bk0044b
_cod_original_cell_volume        1871
_cod_database_code               2105665
Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited
Martin, A.; Pinkerton, A. A.; Acta Crystallographica Section B 54 (1998) 471–477; doi:10.1107/S0108768197014596

data_2105666
_publ_section_title
;
 Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K
 Revisited
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              471
_journal_page_last               477
_journal_paper_doi               10.1107/S0108768197014596
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C2 H6 O6'
_chemical_formula_weight         126.07
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 105.7710(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   6.10240(10)
_cell_length_b                   3.49730(10)
_cell_length_c                   11.9586(2)
_cell_volume                     245.612(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_cod_data_source_file            fr0004.cif
_cod_data_source_block           fr0004a
_cod_original_cell_volume        245.6
_cod_database_code               2105666
Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited
Martin, A.; Pinkerton, A. A.; Acta Crystallographica Section B 54 (1998) 471–477; doi:10.1107/S0108768197014596

data_2105667
_publ_section_title
;
 Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K
 Revisited
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              471
_journal_page_last               477
_journal_paper_doi               10.1107/S0108768197014596
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C2 H6 O6'
_chemical_formula_weight         126.07
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 105.7710(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   6.10240(10)
_cell_length_b                   3.49730(10)
_cell_length_c                   11.9586(2)
_cell_volume                     245.612(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_cod_data_source_file            fr0004.cif
_cod_data_source_block           fr0004b
_cod_original_cell_volume        245.6
_cod_database_code               2105667
Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited
Martin, A.; Pinkerton, A. A.; Acta Crystallographica Section B 54 (1998) 471–477; doi:10.1107/S0108768197014596

data_2105668
_publ_section_title
;
 Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K
 Revisited
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              471
_journal_page_last               477
_journal_paper_doi               10.1107/S0108768197014596
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C2 H6 O6'
_chemical_formula_weight         126.07
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 105.7710(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   6.10240(10)
_cell_length_b                   3.49730(10)
_cell_length_c                   11.9586(2)
_cell_volume                     245.612(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_cod_data_source_file            fr0004.cif
_cod_data_source_block           fr0004c
_cod_original_cell_volume        245.6
_cod_database_code               2105668
Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals
Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P.; Acta Crystallographica Section B 55 (1999) 467–483; doi:10.1107/S0108768199000452

data_2105669
_publ_section_title
;
 Cluster configurations in modulated
 EuV~<i>x~</i>Mo~8{+-~<i>y</i>}O~14~ crystals
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              467
_journal_page_last               483
_journal_paper_doi               10.1107/S0108768199000452
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Eu0.976 Mo7.1 O14 V1.13'
_space_group_ssg_name            Cmca(00\g)s00
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Cmca(00\g)s00
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3060(10)
_cell_length_b                   10.0250(10)
_cell_length_c                   9.2540(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      18
_cell_volume                     1048.87(18)
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       \q/2/3\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .030
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13556
_diffrn_reflns_theta_max         45.00
_diffrn_reflns_theta_min         3.50
_diffrn_standards_decay_%        .1
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.8
_exptl_absorpt_correction_T_max  .42
_exptl_absorpt_correction_T_min  .26
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_density_diffrn    7.02
_exptl_crystal_F_000             1992
_refine_diff_density_max         3.5
_refine_diff_density_min         -3.6
_refine_ls_number_parameters     132
_refine_ls_R_factor_obs          .0411
_refine_ls_shift/esd_max         .0020
_refine_ls_shift/esd_mean        .0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         .0481
_reflns_number_observed          2711
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            lc0010.cif
_cod_data_source_block           Crystal1
_cod_original_cell_volume        1048.9(2)
_cod_original_formula_sum        'Eu0.976(6) V1.13(5) Mo7.10(5) O14'
_cod_database_code               2105669
Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals
Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P.; Acta Crystallographica Section B 55 (1999) 467–483; doi:10.1107/S0108768199000452

data_2105670
_publ_section_title
;
 Cluster configurations in modulated
 EuV~<i>x~</i>Mo~8{+-~<i>y</i>}O~14~ crystals
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              467
_journal_page_last               483
_journal_paper_doi               10.1107/S0108768199000452
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Eu0.986 Mo7.3 O14 V1.1'
_space_group_ssg_name            Cmca(00\g)s00
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Cmca(00\g)s00
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3250(10)
_cell_length_b                   10.0240(10)
_cell_length_c                   9.2400(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      18
_cell_volume                     1048.94(18)
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       \q/\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .031
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13556
_diffrn_reflns_theta_max         45.00
_diffrn_reflns_theta_min         3.50
_diffrn_standards_decay_%        .1
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    15.2
_exptl_absorpt_correction_T_max  .49
_exptl_absorpt_correction_T_min  .23
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_density_diffrn    7.15
_exptl_crystal_F_000             2024
_refine_diff_density_max         3.0
_refine_diff_density_min         -3.7
_refine_ls_number_parameters     134
_refine_ls_R_factor_obs          .0411
_refine_ls_shift/esd_max         .0024
_refine_ls_shift/esd_mean        .0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         .0449
_reflns_number_observed          2423
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            lc0010.cif
_cod_data_source_block           Crystal2
_cod_original_cell_volume        1048.9(2)
_cod_original_formula_sum        'Eu0.986(4) V1.10(3) Mo7.30(1) O14'
_cod_database_code               2105670
Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals
Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P.; Acta Crystallographica Section B 55 (1999) 467–483; doi:10.1107/S0108768199000452

data_2105671
_publ_section_title
;
 Cluster configurations in modulated
 EuV~<i>x~</i>Mo~8{+-~<i>y</i>}O~14~ crystals
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              467
_journal_page_last               483
_journal_paper_doi               10.1107/S0108768199000452
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Eu Mo7.96 O14'
_space_group_ssg_name            Cmca(00\g)s00
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Cmca(00\g)s00
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3150(10)
_cell_length_b                   10.0350(10)
_cell_length_c                   9.2650(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      18
_cell_volume                     1052.00(18)
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       \q/\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .029
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13556
_diffrn_reflns_theta_max         45.00
_diffrn_reflns_theta_min         3.50
_diffrn_standards_decay_%        .2
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.9
_exptl_absorpt_correction_T_max  .52
_exptl_absorpt_correction_T_min  .21
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_density_diffrn    7.20
_exptl_crystal_F_000             2038
_refine_diff_density_max         4.0
_refine_diff_density_min         -4.4
_refine_ls_number_parameters     120
_refine_ls_R_factor_obs          .0478
_refine_ls_shift/esd_max         .0098
_refine_ls_shift/esd_mean        .0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         .0553
_reflns_number_observed          2695
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            lc0010.cif
_cod_data_source_block           Crystal3
_cod_original_cell_volume        1052(2)
_cod_original_formula_sum        'Eu1 Mo7.96(1) O14'
_cod_database_code               2105671
Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K
Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander; Acta Crystallographica Section B 55 (1999) 886–895; doi:10.1107/S0108768199008071

data_2105673
_publ_section_title
;
 Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at
 185 K and the 3<i>c</i> superstructure at 176 K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              886
_journal_page_last               895
_journal_paper_doi               10.1107/S0108768199008071
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Cl4 Cs2 Hg'
_chemical_formula_weight         608.2
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.789(3)
_cell_length_b                   7.541(3)
_cell_length_c                   13.418(3)
_cell_volume                     990.5(5)
_diffrn_radiation_type           multicolumn
_diffrn_radiation_wavelength     .71073
_cod_data_source_file            se0279.cif
_cod_data_source_block           3c
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P nma'
_cod_database_code               2105673