LMucko/crystallography-open-database huggingface dataset:
Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 25 C, on cooling
Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.; American Mineralogist 86 (2001) 1170–1187; doi:

data_9002633
_publ_section_title
;Composition and temperature dependence of cation ordering in Ni-Mg olivine
 solid solutions: A time-of-flight neutron powder diffraction and EXAFS study
 Sample: Mg80Ni20 at T = 25 C, on cooling
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1170
_journal_page_last               1187
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     Mg1.6Ni0.4(SiO4)
_chemical_formula_sum            'Mg1.6 Ni0.4 O4 Si'
_chemical_name_mineral           Olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.74737
_cell_length_b                   10.2069
_cell_length_c                   5.96790
_cell_formula_units_Z            4
_cell_volume                     289.180
_database_code_amcsd             0002722
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.547
_cod_original_formula_sum        'Si O4 (Ni.4 Mg1.6)'
_cod_database_code               9002633
The crystal chemistry of birefringent natural uvarovites: Part II. Single-crystal X-ray structures Sample: Sar-k12
Wildner, M.; Andrut, M.; American Mineralogist 86 (2001) 1231–1251; doi:

data_9002634
_publ_section_title
;
 The crystal chemistry of birefringent natural uvarovites: Part II.
 Single-crystal X-ray structures
 Sample: Sar-k12
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1231
_journal_page_last               1251
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     Ca3(Al0.538Cr1.462)2(SiO4)3
_chemical_formula_sum            'Al0.538 Ca3 Cr1.462 O12 Si3'
_chemical_name_mineral           Uvarovite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90
_cell_angle_beta                 90.14
_cell_angle_gamma                90.01
_cell_length_a                   11.965
_cell_length_b                   11.965
_cell_length_c                   11.965
_cell_formula_units_Z            8
_cell_volume                     1712.919
_database_code_amcsd             0002723
_exptl_crystal_density_diffrn    3.777
_cod_original_formula_sum        'Ca3 (Cr1.462 Al.538) Si3 O12'
_cod_database_code               9002634
The crystal chemistry of birefringent natural uvarovites: Part II. Single-crystal X-ray structures Sample: Sar-899
Wildner, M.; Andrut, M.; American Mineralogist 86 (2001) 1231–1251; doi:

data_9002635
_publ_section_title
;
 The crystal chemistry of birefringent natural uvarovites: Part II.
 Single-crystal X-ray structures
 Sample: Sar-899
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1231
_journal_page_last               1251
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     Ca3(Al0.577Cr1.423)2(SiO4)3
_chemical_formula_sum            'Al0.577 Ca3 Cr1.423 O12 Si3'
_chemical_name_mineral           Uvarovite
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.959
_cell_length_b                   16.958
_cell_length_c                   16.958
_cell_formula_units_Z            16
_cell_volume                     3439.095
_database_code_amcsd             0002724
_exptl_crystal_density_diffrn    3.755
_cod_original_cell_volume        3439.094
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Ca3 (Cr1.423 Al.577) Si3 O12'
_cod_database_code               9002635
The crystal chemistry of birefringent natural uvarovites: Part II. Single-crystal X-ray structures Sample: Ska-1
Wildner, M.; Andrut, M.; American Mineralogist 86 (2001) 1231–1251; doi:

data_9002636
_publ_section_title
;
 The crystal chemistry of birefringent natural uvarovites: Part II.
 Single-crystal X-ray structures
 Sample: Ska-1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1231
_journal_page_last               1251
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     Ca3(Al0.939Cr0.061)2(SiO4)3
_chemical_formula_sum            'Al0.939 Ca3 Cr1.061 O12 Si3'
_chemical_name_mineral           Uvarovite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90.04
_cell_angle_beta                 90.10
_cell_angle_gamma                90.04
_cell_length_a                   11.925
_cell_length_b                   11.926
_cell_length_c                   11.926
_cell_formula_units_Z            8
_cell_volume                     1696.083
_database_code_amcsd             0002725
_exptl_crystal_density_diffrn    3.736
_cod_original_formula_sum        'Ca3 (Cr1.061 Al.939) Si3 O12'
_cod_database_code               9002636
Crystal structure of a new (21)-clinopyribole synthesized at high temperature and pressure
Yang, H.; Konzett, J.; Prewitt, C. T.; American Mineralogist 86 (2001) 1261–1266; doi:

data_9002637
_publ_section_title
;Crystal structure of a new (21)-clinopyribole synthesized at high temperature
 and pressure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1266
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum
'Al1.22 Ca1.52 H2 K1.1 Mg5.84 Na2.32 O36 Si12'
_chemical_name_mineral           Clinopyribole
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.25
_cell_angle_gamma                90
_cell_length_a                   9.8390
_cell_length_b                   26.6471
_cell_length_c                   5.2665
_cell_formula_units_Z            2
_cell_volume                     1325.613
_exptl_crystal_density_diffrn    3.124
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-02-17
;
_cod_original_formula_sum
'Mg5.84 Al1.22 Ca1.52 Na2.32 Si12 O36 K1.1 H2'
_cod_database_code               9002637
_database_code_amcsd 0002726
The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 100 K
Hertweck, B.; Giester, G.; Libowitzky, E.; American Mineralogist 86 (2001) 1282–1292; doi:

data_9002638
_publ_section_title
;The crystal structures of the low-temperature phases of leonite-type
 compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 100 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1282
_journal_page_last               1292
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     K2Mg(SO4)2*4(H2O)
_chemical_formula_sum            'H8 K2 Mg O12 S2'
_chemical_name_mineral           Leonite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.26
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.778
_cell_length_b                   9.469
_cell_length_c                   9.851
_cell_volume                     1094.015
_database_code_amcsd             0002727
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    2.226
_cod_original_formula_sum        'K2 Mg S2 O12 H8'
_cod_database_code               9002638
The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 170 K
Hertweck, B.; Giester, G.; Libowitzky, E.; American Mineralogist 86 (2001) 1282–1292; doi:

data_9002639
_publ_section_title
;The crystal structures of the low-temperature phases of leonite-type
 compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 170 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1282
_journal_page_last               1292
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     K2Mg(SO4)2*4(H2O)
_chemical_formula_sum            'H8 K2 Mg O12 S2'
_chemical_name_mineral           Leonite
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.23
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.780
_cell_length_b                   9.486
_cell_length_c                   19.730
_cell_volume                     2195.552
_database_code_amcsd             0002728
_diffrn_ambient_temperature      170
_exptl_crystal_density_diffrn    2.219
_cod_original_formula_sum        'K2 Mg S2 O12 H8'
_cod_database_code               9002639
The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 293 K
Hertweck, B.; Giester, G.; Libowitzky, E.; American Mineralogist 86 (2001) 1282–1292; doi:

data_9002640
_publ_section_title
;The crystal structures of the low-temperature phases of leonite-type
 compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 293 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1282
_journal_page_last               1292
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     K2Mg(SO4)2*4(H2O)
_chemical_formula_sum            'H8 K2 Mg O12 S2'
_chemical_name_mineral           Leonite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.31
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.769
_cell_length_b                   9.539
_cell_length_c                   9.889
_cell_volume                     1105.419
_database_code_amcsd             0002729
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.203
_cod_original_formula_sum        'K2 Mg S2 O12 H8'
_cod_database_code               9002640
The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 110 K
Hertweck, B.; Giester, G.; Libowitzky, E.; American Mineralogist 86 (2001) 1282–1292; doi:

data_9002641
_publ_section_title
;The crystal structures of the low-temperature phases of leonite-type
 compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 110 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1282
_journal_page_last               1292
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     K2Mg(SO4)2*4(H2O)
_chemical_formula_sum            'H8 K2 Mn O12 S2'
_chemical_name_mineral           Leonite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.02
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.031
_cell_length_b                   9.531
_cell_length_c                   9.902
_cell_volume                     1131.082
_database_code_amcsd             0002730
_diffrn_ambient_temperature      110
_exptl_crystal_density_diffrn    2.333
_cod_original_formula_sum        'K2 Mn S2 O12 H8'
_cod_database_code               9002641
The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 185 K
Hertweck, B.; Giester, G.; Libowitzky, E.; American Mineralogist 86 (2001) 1282–1292; doi:

data_9002642
_publ_section_title
;The crystal structures of the low-temperature phases of leonite-type
 compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 185 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1282
_journal_page_last               1292
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     K2Mg(SO4)2*4(H2O)
_chemical_formula_sum            'H8 K2 Mn O12 S2'
_chemical_name_mineral           Leonite
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.99
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.035
_cell_length_b                   9.549
_cell_length_c                   19.839
_cell_volume                     2271.301
_database_code_amcsd             0002731
_diffrn_ambient_temperature      185
_exptl_crystal_density_diffrn    2.324
_cod_original_formula_sum        'K2 Mn S2 O12 H8'
_cod_database_code               9002642
The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 293 K
Hertweck, B.; Giester, G.; Libowitzky, E.; American Mineralogist 86 (2001) 1282–1292; doi:

data_9002643
_publ_section_title
;The crystal structures of the low-temperature phases of leonite-type
 compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 293 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1282
_journal_page_last               1292
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     K2Mg(SO4)2*4(H2O)
_chemical_formula_sum            'H8 K2 Mn O12 S2'
_chemical_name_mineral           Leonite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.03
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.017
_cell_length_b                   9.594
_cell_length_c                   9.949
_cell_volume                     1142.614
_database_code_amcsd             0002732
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.310
_cod_original_formula_sum        'K2 Mn S2 O12 H8'
_cod_database_code               9002643
The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 185 K
Hertweck, B.; Giester, G.; Libowitzky, E.; American Mineralogist 86 (2001) 1282–1292; doi:

data_9002644
_publ_section_title
;The crystal structures of the low-temperature phases of leonite-type
 compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 185 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1282
_journal_page_last               1292
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     K2Fe(SO4)2*4(H2O)
_chemical_formula_sum            'Fe H8 K2 O12 S2'
_chemical_name_mineral           Mereiterite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.87
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.834
_cell_length_b                   9.502
_cell_length_c                   9.913
_cell_volume                     1110.660
_database_code_amcsd             0002733
_diffrn_ambient_temperature      185
_exptl_crystal_density_diffrn    2.382
_cod_original_formula_sum        'K2 Fe S2 O12 H8'
_cod_database_code               9002644
The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 293 K
Hertweck, B.; Giester, G.; Libowitzky, E.; American Mineralogist 86 (2001) 1282–1292; doi:

data_9002645
_publ_section_title
;The crystal structures of the low-temperature phases of leonite-type
 compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 293 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1282
_journal_page_last               1292
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     K2Fe(SO4)2*4(H2O)
_chemical_formula_sum            'Fe H8 K2 O12 S2'
_chemical_name_mineral           Mereiterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.837
_cell_length_b                   9.547
_cell_length_c                   9.939
_cell_volume                     1119.113
_database_code_amcsd             0002734
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.364
_cod_original_formula_sum        'K2 Fe S2 O12 H8'
_cod_database_code               9002645
Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: their chemical compositions, physical properties and structural features
Merlino, S.; Orlandi, P.; American Mineralogist 86 (2001) 1293–1301; doi:

data_9002646
_publ_section_title
;Carraraite and zaccagnaite, two new minerals from the Carrara marble
 quarries: their chemical compositions, physical properties and structural
 features
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1293
_journal_page_last               1301
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'C H2 Al0.333 O5 Zn0.667'
_chemical_name_mineral           Zaccagnaite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.0725
_cell_length_b                   3.0725
_cell_length_c                   15.114
_cell_volume                     123.565
_database_code_amcsd             0002735
_exptl_crystal_density_diffrn    3.941
_cod_original_formula_sum        '(Al.333 Zn.667) O5 C H2'
_cod_database_code               9002646
Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: their chemical compositions, physical properties and structural features
Merlino, S.; Orlandi, P.; American Mineralogist 86 (2001) 1293–1301; doi:

data_9002647
_publ_section_title
;Carraraite and zaccagnaite, two new minerals from the Carrara marble
 quarries: their chemical compositions, physical properties and structural
 features
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1293
_journal_page_last               1301
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     'Ca3Ge(OH)6(SO4)(CO3 )*12H2 O'
_chemical_formula_sum            'C2 H30 Ca3 Ge O26 S2'
_chemical_name_mineral           Carraraite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.056
_cell_length_b                   11.056
_cell_length_c                   10.629
_cell_volume                     1125.172
_database_code_amcsd             0002736
_exptl_crystal_density_diffrn    2.146
_cod_original_formula_sum        'Ca3 Ge O26 S2 C2 H30'
_cod_database_code               9002647
Evidence for an I2/a to Imab phase transition in the silica polymorph moganite at ~570 K Sample: T = 298 K, neutron
Heaney, P. J.; Post, J. E.; American Mineralogist 86 (2001) 1358–1366; doi:

data_9002648
_publ_section_title
;
 Evidence for an I2/a to Imab phase transition in the silica
 polymorph moganite at ~570 K
 Sample: T = 298 K, neutron
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1358
_journal_page_last               1366
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Moganite
_space_group_IT_number           15
_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                 90.193
_cell_angle_gamma                90
_cell_length_a                   8.7371
_cell_length_b                   4.8692
_cell_length_c                   10.7217
_cell_formula_units_Z            12
_cell_volume                     456.127
_database_code_amcsd             0002737
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.625
_cod_original_formula_sum        'Si O2'
_cod_database_code               9002648
Evidence for an I2/a to Imab phase transition in the silica polymorph moganite at ~570 K Sample: T = 1354 K
Heaney, P. J.; Post, J. E.; American Mineralogist 86 (2001) 1358–1366; doi:

data_9002649
_publ_section_title
;
 Evidence for an I2/a to Imab phase transition in the silica
 polymorph moganite at ~570 K
 Sample: T = 1354 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1358
_journal_page_last               1366
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Moganite
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2a 2'
_symmetry_space_group_name_H-M   'I m c b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.8159
_cell_length_b                   4.9371
_cell_length_c                   10.7605
_cell_formula_units_Z            12
_cell_volume                     468.351
_database_code_amcsd             0002738
_diffrn_ambient_temperature      1354
_exptl_crystal_density_diffrn    2.556
_cod_original_sg_symbol_H-M      'I m a b'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9002649