LMucko/crystallography-open-database huggingface dataset:
Deformation density in magnesium sulfite hexahydrate
Bats, J. W.; Fuess, H.; Elerman, Y.; Acta Crystallographica B (39,1983-) 42 (1986) 552–557; doi:10.1107/S0108768186097719

data_1100082
_publ_section_title
;
 Deformation density in magnesium sulfite hexahydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              552
_journal_page_last               557
_journal_paper_doi               10.1107/S0108768186097719
_journal_volume                  42
_journal_year                    1986
_chemical_formula_structural     'Mg S O3 (H2 O)6'
_chemical_formula_sum            'H12 Mg O9 S'
_chemical_name_systematic        'Magnesium sulfite hexahydrate'
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                96.25(2)
_cell_angle_beta                 96.25(2)
_cell_angle_gamma                96.25(2)
_cell_formula_units_Z            1
_cell_length_a                   5.911(1)
_cell_length_b                   5.911(1)
_cell_length_c                   5.911(1)
_cell_volume                     202.6
_exptl_crystal_density_meas      1.74(0)
_refine_ls_R_factor_all          0.018
_cod_original_sg_symbol_H-M      'R 3 R'
_cod_database_code               1100082
Deformation density in magnesium sulfite hexahydrate
Bats, J. W.; Fuess, H.; Elerman, Y.; Acta Crystallographica B (39,1983-) 42 (1986) 552–557; doi:10.1107/S0108768186097719

data_1100083
_publ_section_title
;
 Deformation density in magnesium sulfite hexahydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              552
_journal_page_last               557
_journal_paper_doi               10.1107/S0108768186097719
_journal_volume                  42
_journal_year                    1986
_chemical_formula_structural     'Mg S O3 (H2 O)6'
_chemical_formula_sum            'H12 Mg O9 S'
_chemical_name_systematic        'Magnesium sulfite hexahydrate'
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                96.25(2)
_cell_angle_beta                 96.25(2)
_cell_angle_gamma                96.25(2)
_cell_formula_units_Z            1
_cell_length_a                   5.911(1)
_cell_length_b                   5.911(1)
_cell_length_c                   5.911(1)
_cell_volume                     202.6
_exptl_crystal_density_meas      1.74(0)
_refine_ls_R_factor_all          0.017
_cod_original_sg_symbol_H-M      'R 3 R'
_cod_database_code               1100083
Crystal structure of Mg (H S O~4~)~2~
Simonov, M A; Troyanov, S I; Kemnitz, E; Haas, D; Kammler, M; Kristallografiya 31 (1986) 1220–1221; doi:

data_1100084
_publ_section_title              'Crystal structure of Mg (H S O~4~)~2~'
_journal_name_full               Kristallografiya
_journal_page_first              1220
_journal_page_last               1221
_journal_volume                  31
_journal_year                    1986
_chemical_formula_structural     'Mg (H S O4)2'
_chemical_formula_sum            'H2 Mg O8 S2'
_chemical_name_systematic        'Magnesium bis(hydrogensulfate)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.90(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.299(6)
_cell_length_b                   8.273(8)
_cell_length_c                   4.940(3)
_cell_volume                     293.9
_refine_ls_R_factor_all          0.03
_cod_database_code               1100084
Crystal structure of acid magnesium sulphate Mg:SO~3~(OH):~2~:SO~2~(OH)~2~:~2~
Troyanov, S I; Merinov, B V; Verin, I P; Kemnitz, E; Hass, D; Kristallografiya 35 (1990) 852–855; doi:

data_1100085
_publ_section_title
;
Crystal structure of acid magnesium sulphate
Mg:SO~3~(OH):~2~:SO~2~(OH)~2~:~2~
;
_journal_name_full               Kristallografiya
_journal_page_first              852
_journal_page_last               855
_journal_volume                  35
_journal_year                    1990
_chemical_formula_structural     'Mg (H S O4)2 (H2 S O4)2'
_chemical_formula_sum            'H6 Mg O16 S4'
_chemical_name_systematic
;
Magnesium bis(hydrogensulfate) bis(sulfuric acid)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 104.19(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.091(4)
_cell_length_b                   15.329(6)
_cell_length_c                   7.882(6)
_cell_volume                     596.3
_refine_ls_R_factor_all          0.061
_cod_database_code               1100085
Ueber die Bildung und Kristallstruktur von Mg(HSO~4~)~2~ * H~2~O
Worzala, H; Schneider, M; Kemnitz, E; Trojanov, S I; Zeitschrift fuer Anorganische und Allgemeine Chemie 596 (1991) 167–171; doi:10.1002/zaac.19915960122

data_1100086
_publ_section_title
;
Ueber die Bildung und Kristallstruktur von Mg(HSO~4~)~2~ * H~2~O
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              167
_journal_page_last               171
_journal_paper_doi               10.1002/zaac.19915960122
_journal_volume                  596
_journal_year                    1991
_chemical_formula_structural     'Mg (H S O4)2 (H2 O)'
_chemical_formula_sum            'H4 Mg O9 S2'
_chemical_name_systematic        'Magnesium hydrogensulfate hydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.33(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.623(2)
_cell_length_b                   5.014(1)
_cell_length_c                   15.428(3)
_cell_volume                     654.0
_refine_ls_R_factor_all          0.04
_cod_database_code               1100086
Affinement de la structure de la Kieserite Mg (S O4) (H2 O)
Bregeault, J M; Herpin, P; Manoli, J M; Pannetier, G; Bulletin de la Societe Chimique de France (Vol=Year) 1970 (1970) 4243–4248; doi:

data_1100087
_publ_section_title
;
Affinement de la structure de la Kieserite Mg (S O4) (H2 O)
;
_journal_name_full
;
Bulletin de la Societe Chimique de France (Vol=Year)
;
_journal_page_first              4243
_journal_page_last               4248
_journal_volume                  1970
_journal_year                    1970
_chemical_formula_structural     'Mg (S O4) (H2 O)'
_chemical_formula_sum            'H2 Mg O5 S'
_chemical_name_mineral           Kieserite
_chemical_name_systematic        'Magnesium sulfate hydrate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.683
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.891
_cell_length_b                   7.624
_cell_length_c                   7.645
_cell_volume                     355.7
_exptl_crystal_density_meas      2.57
_refine_ls_R_factor_all          0.057
_cod_database_code               1100087
Das Kristallgitter des Kieserits Mg S O4 H2 O
Leonhardt, J; Weiss, R; Naturwissenschaften 44 (1957) 338–339; doi:

data_1100088
_publ_section_title
;
Das Kristallgitter des Kieserits Mg S O4 H2 O
;
_journal_name_full               Naturwissenschaften
_journal_page_first              338
_journal_page_last               339
_journal_volume                  44
_journal_year                    1957
_chemical_formula_structural     'Mg (S O4) (H2 O)'
_chemical_formula_sum            'H2 Mg O5 S'
_chemical_name_mineral           Kieserite
_chemical_name_systematic        'Magnesium sulfate hydrate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.72
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.886
_cell_length_b                   7.61
_cell_length_c                   7.63
_cell_volume                     353.9
_exptl_crystal_density_meas      2.57
_cod_database_code               1100088
Refinement of the crystal structure of magnesium sulphate heptahydrate (epsomite) by neutron diffraction
Ferraris, Giovanni; Jones, Derry W.; Yerkess, Jack; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999) 1973 (1973) 816–821; doi:10.1039/dt9730000816

data_1100089
_publ_section_title
;
 Refinement of the crystal structure of magnesium sulphate heptahydrate
 (epsomite) by neutron diffraction
;
_journal_coden_ASTM              JCDTBI
_journal_issue                   8
_journal_name_full
;
 Journal of the Chemical Society, Dalton Transactions: Inorganic
 Chemistry (1972-1999)
;
_journal_page_first              816
_journal_page_last               821
_journal_paper_doi               10.1039/dt9730000816
_journal_volume                  1973
_journal_year                    1973
_chemical_formula_moiety         'Mg S O4, 7(H2 O)'
_chemical_formula_sum            'H14 Mg O11 S'
_chemical_name_mineral           Epsomite
_chemical_name_systematic        'Magnesium sulfate heptahydrate'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.868(10)
_cell_length_b                   11.996(10)
_cell_length_c                   6.857(7)
_cell_volume                     976.2
_exptl_crystal_density_meas      1.68
_cod_depositor_comments
;
 Adding the _chemical_formula_moiety and _chemical_formula_sum data items.

 Antanas Vaitkus,
 2017-09-09
;
_cod_database_code               1100089
On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO~4~.4H~2~O
Baur, W. H.; Acta Crystallographica 17 (1964) 863–869; doi:10.1107/S0365110X64002304

data_1100090
_publ_section_title
;
 On the crystal chemistry of salt hydrates. II. A neutron
 diffraction study of MgSO~4~.4H~2~O
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   7
_journal_name_full               'Acta Crystallographica'
_journal_page_first              863
_journal_page_last               869
_journal_paper_doi               10.1107/S0365110X64002304
_journal_volume                  17
_journal_year                    1964
_chemical_formula_moiety         'Mg S O4, 4(H2 O)'
_chemical_formula_sum            'H8 Mg O8 S'
_chemical_name_mineral           Starkeyite
_chemical_name_systematic        'Magnesium sulfate tetrahydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.85(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.922(6)
_cell_length_b                   13.604(4)
_cell_length_c                   7.905(5)
_cell_volume                     636.8
_exptl_crystal_density_meas      2.01
_refine_ls_R_factor_all          0.086
_cod_depositor_comments
;
 Adding the _chemical_formula_moiety and _chemical_formula_sum data items.

 Antanas Vaitkus,
 2017-09-09
;
_cod_database_code               1100090
On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of the Crystal Structure of Mg S O4 (H2 O)7 (Epsomite)
Baur, W H; Acta Crystallographica (1,1948-23,1967) 17 (1964) 1361–1369; doi:10.1107/S0365110X64003449

data_1100091
_publ_section_title
;
On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of the
Crystal Structure of Mg S O4 (H2 O)7 (Epsomite)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1361
_journal_page_last               1369
_journal_paper_doi               10.1107/S0365110X64003449
_journal_volume                  17
_journal_year                    1964
_chemical_formula_structural     'Mg S O4 (H2 O)7'
_chemical_formula_sum            'H14 Mg O11 S'
_chemical_name_mineral           Epsomite
_chemical_name_systematic        'Magnesium sulfate heptahydrate'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.868(10)
_cell_length_b                   11.996(10)
_cell_length_c                   6.857(7)
_cell_volume                     976.2
_exptl_crystal_density_meas      1.68
_refine_ls_R_factor_all          0.057
_cod_database_code               1100091
Bregeault, J M; Herpin, P; Coing-Boyat, J; Bulletin de la Societe Chimique de France (Vol=Year) 1972 (1972) 2247–2250; doi:

data_1100092
_journal_name_full
;
Bulletin de la Societe Chimique de France (Vol=Year)
;
_journal_page_first              2247
_journal_page_last               2250
_journal_volume                  1972
_journal_year                    1972
_chemical_formula_structural     'Mg S O4 (H2 O)7'
_chemical_name_mineral           Kieserite
_chemical_name_systematic        'Magnesium sulfate hydrate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.68
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.891
_cell_length_b                   7.624
_cell_length_c                   7.645
_cell_volume                     355.7
_exptl_crystal_density_meas      2.57
_refine_ls_R_factor_all          0.048
_cod_database_code               1100092
Coing-Boyat, J; Bulletin de la Societe Chimique de France (Vol=Year) 1971 (1971) 3863–3865; doi:

data_1100093
_journal_name_full
;
Bulletin de la Societe Chimique de France (Vol=Year)
;
_journal_page_first              3863
_journal_page_last               3865
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_structural     'Mg S O4 (H2 O)7'
_chemical_name_mineral           Kieserite
_chemical_name_systematic        'Magnesium sulfate hydrate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.891
_cell_length_b                   7.624
_cell_length_c                   7.549
_cell_volume                     355.7
_exptl_crystal_density_meas      2.57
_refine_ls_R_factor_all          0.058
_cod_database_code               1100093
Hawthorne, F C; Groat, L A; Raudsepp, M; Ercit, T S; Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 157 (1987) 121–132; doi:

data_1100094
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)
;
_journal_page_first              121
_journal_page_last               132
_journal_volume                  157
_journal_year                    1987
_chemical_formula_structural     'Mg S O4 (H2 O)7'
_chemical_name_mineral           Kieserite
_chemical_name_systematic        'Magnesium sulfate hydrate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.70(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.891(2)
_cell_length_b                   7.624(2)
_cell_length_c                   7.645(2)
_cell_volume                     355.6
_exptl_crystal_density_meas      2.57
_cod_database_code               1100094
Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray diffraction
Hamada, E.; Ishizawa, N.; Marumo, F.; Ohsumi, K.; Shimizugawa, Y.; Reizen, K.; Matsunami, T.; Acta Crystallographica B (39,1983-) 52 (1996) 266–269; doi:10.1107/S0108768195014443

data_1100095
_publ_section_title
;
 Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray
 diffraction
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              266
_journal_page_last               269
_journal_paper_doi               10.1107/S0108768195014443
_journal_volume                  52
_journal_year                    1996
_chemical_formula_structural     'Mg6 (S O2) (O H)14'
_chemical_formula_sum            'H14 Mg6 O16 S'
_chemical_name_systematic        'Hexamagnesium dihydrogensulfate hydroxide'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.895(1)
_cell_length_b                   3.105(1)
_cell_length_c                   13.367(1)
_cell_volume                     659.7
_exptl_crystal_density_meas      2.3
_refine_ls_R_factor_all          0.073
_cod_database_code               1100095
Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydrate
Baur, W. H.; Rolin, J. L.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 28 (1972) 1448–1455; doi:10.1107/S0567740872004443

data_1100096
_publ_section_title
;
 Salt hydrates. IX. The comparison of the crystal structure of magnesium
 sulfate pentahydrate with copper sulfate pentahydrate and magnesium chromate
 pentahydrate
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography
 and Crystal Chemistry
;
_journal_page_first              1448
_journal_page_last               1455
_journal_paper_doi               10.1107/S0567740872004443
_journal_volume                  28
_journal_year                    1972
_chemical_formula_structural     'Mg S O4 (H2 O)5'
_chemical_formula_sum            'H10 Mg O9 S'
_chemical_name_mineral           Pentahydrite
_chemical_name_systematic        'Magnesium sulfate(VI) pentahydrate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.12(20)
_cell_angle_beta                 109.82(20)
_cell_angle_gamma                105.08(5)
_cell_formula_units_Z            2
_cell_length_a                   6.314(5)
_cell_length_b                   10.565(18)
_cell_length_c                   6.030(6)
_cell_volume                     364.4
_exptl_crystal_density_meas      1.9
_refine_ls_R_factor_all          0.057
_cod_database_code               1100096
Zur Kristallchemie der Salzhydrate. Die Kristallstrukturen von MgSO~4~.4H~2~O (leonhardtit) und FeSO~4~.4H~2~O (rozenit)
Baur, W. H.; Acta Crystallographica 15 (1962) 815–826; doi:10.1107/S0365110X62002200

data_1100097
_publ_section_title
;
 Zur Kristallchemie der Salzhydrate. Die Kristallstrukturen von
 MgSO~4~.4H~2~O (leonhardtit) und FeSO~4~.4H~2~O (rozenit)
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   9
_journal_name_full               'Acta Crystallographica'
_journal_page_first              815
_journal_page_last               826
_journal_paper_doi               10.1107/S0365110X62002200
_journal_volume                  15
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_moiety         'Mg S O4, 4(H2 O)'
_chemical_formula_sum            'H8 Mg O8 S'
_chemical_name_mineral           Starkeyite
_chemical_name_systematic        'Magnesium sulfate(VI) tetrahydrate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.85(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.922(6)
_cell_length_b                   13.604(4)
_cell_length_c                   7.905(5)
_cell_volume                     636.8
_database_code_amcsd             0009275
_exptl_crystal_density_diffrn    2.007
_exptl_crystal_density_meas      2.01
_refine_ls_R_factor_all          0.078
_cod_depositor_comments
;
 Adding the _chemical_formula_moiety and _chemical_formula_sum data items.

 Antanas Vaitkus,
 2017-09-09
;
_cod_database_code               1100097
Yamnova, N A; Pushcharovskii, D Y; Apollonov, V N; Vestnik Moskovskogo Universiteta, Geologiya 5 (1989) 73–75; doi:

data_1100098
_journal_name_full               'Vestnik Moskovskogo Universiteta, Geologiya'
_journal_page_first              73
_journal_page_last               75
_journal_volume                  5
_journal_year                    1989
_chemical_name_mineral           Caminite
_chemical_name_systematic        'Magnesium bis(sulfate(VI)) dihydroxide'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.254(2)
_cell_length_b                   5.254(2)
_cell_length_c                   12.971(7)
_cell_volume                     358.1
_exptl_crystal_density_meas      2.8
_refine_ls_R_factor_all          0.12
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_database_code               1100098