LMucko/crystallography-open-database huggingface dataset:
Titanium(IV) chloride at 150 K
Alice Dawson; Andrew Parkin; Simon Parsons; Colin R. Pulham; Amy L.C. Young; Acta Crystallographica, Section E 58 (2002) i95–i97; doi:10.1107/S1600536802016665

data_2201249
_publ_section_title
;
Titanium(IV) chloride at 150 K
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i95
_journal_page_last               i97
_journal_paper_doi               10.1107/S1600536802016665
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     ' Ti Cl4'
_chemical_formula_sum            'Cl4 Ti'
_chemical_formula_weight         189.71
_chemical_melting_point          248
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.168(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.670(2)
_cell_length_b                   6.4737(15)
_cell_length_c                   9.682(2)
_cell_measurement_temperature    150
_cell_volume                     592.5(2)
_database_code_amcsd             0010387
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    2.127
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic ' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        ' Cl4 Ti1 '
_cod_database_code               2201249
_amcsd_formula_title             TiCl4
Sodium cobalt(II) hydrogendiphosphate, NaCoHP~2~O~7~
Guesmi, Abderrahmen; Driss, Ahmed; Acta Crystallographica, Section E 58 (2002) i108–i110; doi:10.1107/S1600536802019116

data_2201250
_publ_section_title
;
Sodium cobalt(II) hydrogendiphosphate, NaCoHP~2~O~7~
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i108
_journal_page_last               i110
_journal_paper_doi               10.1107/S1600536802019116
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Na Co H P2 O7'
_chemical_formula_structural     'Na Co H P2 O7'
_chemical_formula_sum            'Co H Na O7 P2'
_chemical_formula_weight         256.87
_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                112.600(10)
_cell_angle_beta                 87.935(8)
_cell_angle_gamma                96.140(10)
_cell_formula_units_Z            2
_cell_length_a                   6.5629(7)
_cell_length_b                   6.6430(10)
_cell_length_c                   6.5309(6)
_cell_measurement_temperature    293(2)
_cell_volume                     261.35(5)
_database_code_amcsd             0010391
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.264
_cod_original_formula_sum        'H Co Na O7 P2'
_cod_database_code               2201250
_amcsd_formula_title             NaCoHP2O7
Cerium arsenate, CeAsO~4~
Brahim, Ayed; Mohamed Mongi, Ftini; Amor, Haddad; Acta Crystallographica, Section E 58 (2002) i98–i99; doi:10.1107/S1600536802018664

data_2201251
_publ_section_title
;
Cerium arsenate, CeAsO~4~
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i98
_journal_page_last               i99
_journal_paper_doi               10.1107/S1600536802018664
_journal_volume                  58
_journal_year                    2002
_chemical_compound_source        Synthetic
_chemical_formula_iupac          'Ce As O4'
_chemical_formula_structural     'Ce As O4'
_chemical_formula_sum            'As Ce O4'
_chemical_formula_weight         279.03
_chemical_name_mineral           Gasparite-(Ce)
_space_group_IT_number           14
_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                90.000
_cell_angle_beta                 104.690(10)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   6.9750(10)
_cell_length_b                   7.1770(10)
_cell_length_c                   6.759(2)
_cell_measurement_temperature    293(2)
_cell_volume                     327.29(12)
_database_code_amcsd             0010388
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.663
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2201251
Redetermination of potassium chlorochromate, KCrO~3~Cl
Kolitsch, Uwe; Acta Crystallographica, Section E 58 (2002) i105–i107; doi:10.1107/S1600536802019396

data_2201254
_publ_section_title
;
Redetermination of potassium chlorochromate, KCrO~3~Cl
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i105
_journal_page_last               i107
_journal_paper_doi               10.1107/S1600536802019396
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'K Cr O3 Cl'
_chemical_formula_structural     'K Cr O3 Cl'
_chemical_formula_sum            'Cl Cr K O3'
_chemical_formula_weight         174.55
_chemical_name_common            'potassium chlorochromate'
_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                 91.40(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.838(2)
_cell_length_b                   7.4930(10)
_cell_length_c                   7.812(2)
_cell_measurement_temperature    293(2)
_cell_volume                     458.66(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.528
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201254
Manganese(II) sulfate tetrahydrate (ilesite)
Held, Peter; Bohatý, Ladislav; Acta Crystallographica, Section E 58 (2002) i121–i123; doi:10.1107/S1600536802020962

data_2201256
_publ_section_title
;
Manganese(II) sulfate tetrahydrate (ilesite)
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i121
_journal_page_last               i123
_journal_paper_doi               10.1107/S1600536802020962
_journal_volume                  58
_journal_year                    2002
_chemical_compound_source        Synthetic
_chemical_formula_moiety         'H16 Mn2 O16 S2'
_chemical_formula_structural     'Mn2 (S O4)2 (H2 O)8'
_chemical_formula_sum            'H16 Mn2 O16 S2'
_chemical_formula_weight         446.12
_chemical_name_common
;
manganese(II) sulfate tetrahydrate
;
_chemical_name_mineral           Ilesite
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 90.800(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.9783(6)
_cell_length_b                   13.8090(10)
_cell_length_c                   8.0481(7)
_cell_measurement_temperature    293(2)
_cell_volume                     664.40(10)
_database_code_amcsd             0010394
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.230
_cod_depositor_comments
;

2017-09-02
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_moiety     '(Mn 2+), (S O4 2-), 4(H2 O)'
_cod_original_formula_sum        'H8 Mn O8 S'
_cod_original_formula_units_Z    4
_cod_original_formula_weight     223.06
_cod_database_code               2201256
CsAl(MoO~4~)~2~
Tomaszewski, Paweł E.; Pietraszko, Adam; Mączka, Mirosław; Hanuza, Jerzy; Acta Crystallographica, Section E 58 (2002) i119–i120; doi:10.1107/S1600536802020950

data_2201257
_publ_section_title
;
CsAl(MoO~4~)~2~
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i119
_journal_page_last               i120
_journal_paper_doi               10.1107/S1600536802020950
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'Cs Al (Mo O4)2'
_chemical_formula_structural     'Cs Al (Mo O4)2'
_chemical_formula_sum            'Al Cs Mo2 O8'
_chemical_formula_weight         479.77
_chemical_name_common            CsAl(MoO~4~)~2~
_space_group_IT_number           164
_space_group_name_Hall           '-P 3 2"'
_space_group_name_H-M_alt        'P -3 m 1'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   5.5510(10)
_cell_length_b                   5.5510(10)
_cell_length_c                   8.037(2)
_cell_measurement_temperature    293(2)
_cell_volume                     214.47(8)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    3.715
_cod_database_code               2201257
Ammonium mercury(II) dichloride nitrate, (NH~4~)~2~HgCl~2~(NO~3~)~2~
Nockemann, Peter; Meyer, Gerd; Acta Crystallographica, Section E 58 (2002) i68–i69; doi:10.1107/S1600536802011145

data_2201268
_publ_section_title
;
Ammonium mercury(II) dichloride nitrate, (NH~4~)~2~HgCl~2~(NO~3~)~2~
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i68
_journal_page_last               i69
_journal_paper_doi               10.1107/S1600536802011145
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '(N H4)2 Hg Cl2 (N O3)2'
_chemical_formula_moiety         '2NH4 1+, HgCl2, 2N O3 1-'
_chemical_formula_sum            'Cl2 H8 Hg N4 O6'
_chemical_formula_weight         431.59
_chemical_name_common
;
Ammonium mercury(II)-dichloride-nitrate
;
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5758(16)
_cell_length_b                   5.4976(5)
_cell_length_c                   11.2826(15)
_cell_measurement_temperature    293(2)
_cell_volume                     966.12(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.967
_cod_database_code               2201268
Sodium selenite, Na~2~SeO~3~
Wickleder, Mathias S.; Acta Crystallographica, Section E 58 (2002) i103–i104; doi:10.1107/S1600536802019384

data_2201317
_publ_section_title
;
Sodium selenite, Na~2~SeO~3~
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i103
_journal_page_last               i104
_journal_paper_doi               10.1107/S1600536802019384
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Na2 Se1 O3'
_chemical_formula_moiety         'O3 Se, 2(Na)'
_chemical_formula_sum            'Na2 O3 Se'
_chemical_formula_weight         172.94
_chemical_name_common            'sodium selenite'
_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                 91.11(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.9089(13)
_cell_length_b                   10.0072(15)
_cell_length_c                   6.8535(15)
_cell_measurement_temperature    293(2)
_cell_volume                     336.61(13)
_database_code_amcsd             0010389
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.413
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201317
_amcsd_formula_title             Na2SeO3
Dysprosium thiosilicate, Dy~4~(SiS~4~)~3~
Hatscher, Stephan T.; Urland, Werner; Acta Crystallographica, Section E 58 (2002) i74–i75; doi:10.1107/S1600536802014137

data_2201516
_publ_section_title
;
Dysprosium thiosilicate, Dy~4~(SiS~4~)~3~
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i74
_journal_page_last               i75
_journal_paper_doi               10.1107/S1600536802014137
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Dy4 (Si S4)3'
_chemical_formula_moiety         'Dy4 S12 Si3'
_chemical_formula_structural     'Dy4 (Si S4)3'
_chemical_formula_sum            'Dy4 S12 Si3'
_chemical_formula_weight         1118.99
_chemical_name_common            'dysprosium thiosilicate'
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 102.86(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.813(2)
_cell_length_b                   10.9387(18)
_cell_length_c                   16.360(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1712.1(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.341
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2201516
Rb~2~Al~2~B~2~O~7~
Judith L. Kissick; Douglas A. Keszler; Acta Crystallographica, Section E 58 (2002) i85–i87; doi:10.1107/S1600536802015659

data_2201637
_publ_section_title
;
Rb~2~Al~2~B~2~O~7~
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i85
_journal_page_last               i87
_journal_paper_doi               10.1107/S1600536802015659
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Rb2 Al2 B2 O7'
_chemical_formula_moiety         'Rb2 Al2 B2 O7'
_chemical_formula_structural     'Rb2 Al2 B2 O7'
_chemical_formula_sum            'Al2 B2 O7 Rb2'
_chemical_formula_weight         358.52
_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                 103.970(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.901(2)
_cell_length_b                   7.5390(10)
_cell_length_c                   11.905(2)
_cell_measurement_temperature    293(2)
_cell_volume                     775.3(2)
_database_code_amcsd             0010385
_exptl_crystal_density_diffrn    3.072
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201637
_amcsd_formula_title             Rb2Al2B2O7
Lead(IV) chloride at 150 K
Iain J. Maley; Simon Parsons; Colin R. Pulham; Acta Crystallographica, Section E 58 (2002) i79–i81; doi:10.1107/S1600536802015064

data_2201719
_publ_section_title
;
Lead(IV) chloride at 150 K
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i79
_journal_page_last               i81
_journal_paper_doi               10.1107/S1600536802015064
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Pb1 Cl4'
_chemical_formula_moiety         'Cl4 Pb1'
_chemical_formula_sum            'Cl4 Pb'
_chemical_formula_weight         349.01
_chemical_melting_point          262
_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'
_cell_angle_alpha                90
_cell_angle_beta                 115.83(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.542(8)
_cell_length_b                   5.359(3)
_cell_length_c                   11.958(5)
_cell_measurement_temperature    150
_cell_volume                     608.0(6)
_database_code_amcsd             0010384
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    3.812
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_original_formula_sum        'Cl4 Pb1'
_cod_database_code               2201719
_amcsd_formula_title             PbCl4
Orthorhombic Yb~5~Si~4~ from synchrotron powder data
Radovan Černý; K. Alami-Yadri; Acta Crystallographica Section E 59 (2003) i1–i3; doi:10.1107/S1600536802023541

data_2201753
_publ_section_title
;
 Orthorhombic Yb~5~Si~4~ from synchrotron powder data
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i1
_journal_page_last               i3
_journal_paper_doi               10.1107/S1600536802023541
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'Yb5 Si4'
_chemical_formula_structural     'Yb5 Si4'
_chemical_formula_sum            'Si4 Yb5'
_chemical_formula_weight         977.54
_chemical_name_systematic
;
pentaytterbium tetrasilicide
;
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.26327(4)
_cell_length_b                   14.78061(8)
_cell_length_c                   7.70343(4)
_cell_measurement_reflns_used    597
_cell_measurement_temperature    293
_cell_measurement_theta_max      33.333
_cell_measurement_theta_min      3.6
_cell_volume                     827.006(8)
_computing_cell_refinement       'FULLPROF99 (Rodr\'iguez-Carvajal, 1999)'
_computing_data_reduction        FULLPROF99
_computing_molecular_graphics    'ATOMS (Dowty, 1993)'
_computing_publication_material
'WinPLOTR (Roisnel & Rodr\'iguez-Carvajal, 1998) and ATOMS'
_computing_structure_refinement  FULLPROF99
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  '2-axis goniometer'
_diffrn_radiation_monochromator  'channel-cut Si 111'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.52301
_exptl_absorpt_coefficient_mu    1.83
_exptl_absorpt_correction_type   cylinder
_exptl_crystal_density_diffrn    7.851(2)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1624
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.28
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     46
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.01
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            br6073.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-p 2ac 2n'
_cod_database_code               2201753
NaAl(MoO~4~)~2~: a rare structure type among layered yavapaiite-related AM(XO~4~)~2~ compounds
Kolitsch, Uwe; Maczka, Miroslaw; Hanuza, Jerzy; Acta Crystallographica, Section E 59 (2003) i10–i13; doi:10.1107/S1600536803000990

data_2201756
_publ_section_title
;
NaAl(MoO~4~)~2~: a rare structure type among layered yavapaiite-related
AM(XO~4~)~2~ compounds
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i10
_journal_page_last               i13
_journal_paper_doi               10.1107/S1600536803000990
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'Na Al (Mo O4)2'
_chemical_formula_structural     'Na Al (Mo O4)2'
_chemical_formula_sum            'Al Mo2 Na O8'
_chemical_formula_weight         369.85
_chemical_name_common            'sodium aluminum molybdate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.01(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.621(2)
_cell_length_b                   5.3390(10)
_cell_length_c                   13.146(3)
_cell_measurement_temperature    293(2)
_cell_volume                     675.3(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.638
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2201756
Synthesis and crystal structure of sodium magnesium tris(dihydrogenophosphite) monohydrate, NaMg(H~2~PO~3~)~3~.H~2~O
Ouarsal, Rachid; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Dusek, Michal; Karla, Fejfarova; El Bali, Brahim; Acta Crystallographica, Section E 59 (2003) i33–i35; doi:10.1107/S1600536803002757

data_2201758
_publ_section_title
;
Synthesis and crystal structure of sodium magnesium tris(dihydrogenophosphite)
monohydrate, NaMg(H~2~PO~3~)~3~.H~2~O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i33
_journal_page_last               i35
_journal_paper_doi               10.1107/S1600536803002757
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     'Na Mg (H P O 3 H)3 (H2 O)'
_chemical_formula_sum            'H8 Mg Na O10 P3'
_chemical_formula_weight         308.3
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.8060(10)
_cell_length_b                   9.078(2)
_cell_length_c                   14.811(2)
_cell_measurement_temperature    295
_cell_volume                     1990.8(5)
_exptl_crystal_density_diffrn    2.0564
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'H8 Mg1 Na1 O10 P3'
_cod_database_code               2201758