LMucko/crystallography-open-database huggingface dataset:
The solubility of certain metals in gold
Owen, E. A.; O'Donnell Roberts E A; Journal of the Institute of Metals 71 (1945) 213–254; doi:

data_9013063
_publ_section_title
;
 The solubility of certain metals in gold
;
_journal_name_full               'Journal of the Institute of Metals'
_journal_page_first              213
_journal_page_last               254
_journal_volume                  71
_journal_year                    1945
_chemical_formula_sum            'Au0.8 Hg0.2'
_chemical_name_mineral           Eugenite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.126
_cell_length_b                   4.126
_cell_length_c                   4.126
_cell_formula_units_Z            4
_cell_volume                     70.241
_database_code_amcsd             0014123
_exptl_crystal_density_diffrn    18.694
_cod_original_formula_sum        '(Au.8 Hg.2)'
_cod_database_code               9013063
The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with different structures and differentiation of LREE and HREE
Rouse, R. C.; Peacor, D. R.; Essene, E. J.; Coskren, T. D.; Lauf, R. J.; Geochimica et Cosmochimica Acta 65 (2001) 1101–1115; doi:10.1016/S0016-7037(00)00568-8

data_9013064
_publ_section_title
;
 The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and
 zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with
 different structures and differentiation of LREE and HREE
;
_journal_name_full               'Geochimica et Cosmochimica Acta'
_journal_page_first              1101
_journal_page_last               1115
_journal_paper_doi               10.1016/S0016-7037(00)00568-8
_journal_volume                  65
_journal_year                    2001
_chemical_compound_source
'Alum Cave Bluff, Great Smoky Mountains National Park, Tennessee'
_chemical_formula_sum
;C2 H24 Al Ce0.12 Dy0.04 Eu0.02 Gd0.08 La0.03 Nd0.23 O24 Pr0.03 S2 Sm0.12
 Y0.33
;
_chemical_name_mineral           Levinsonite-(Y)
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.50
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.289
_cell_length_b                   9.234
_cell_length_c                   11.015
_cell_volume                     992.440
_database_code_amcsd             0012661
_exptl_crystal_density_diffrn    2.179
_cod_original_formula_sum
'(Y.33 La.03 Ce.12 Pr.03 Nd.23 Sm.12 Eu.02 Gd.08 Dy.04) Al S2 C2 O24 H24'
_cod_database_code               9013064
The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with different structures and differentiation of LREE and HREE
Rouse, R. C.; Peacor, D. R.; Essene, E. J.; Coskren, T. D.; Lauf, R. J.; Geochimica et Cosmochimica Acta 65 (2001) 1101–1115; doi:10.1016/S0016-7037(00)00568-8

data_9013065
_publ_section_title
;
 The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and
 zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with
 different structures and differentiation of LREE and HREE
;
_journal_name_full               'Geochimica et Cosmochimica Acta'
_journal_page_first              1101
_journal_page_last               1115
_journal_paper_doi               10.1016/S0016-7037(00)00568-8
_journal_volume                  65
_journal_year                    2001
_chemical_compound_source
'Alum Cave Bluff, Great Smoky Mountains National Park, Tennessee'
_chemical_formula_sum
'C2 H24 Al Ce0.54 La0.09 Nd0.26 O24 Pr0.07 S2 Sm0.04'
_chemical_name_mineral           Zugshunstite-(Ce)
_space_group_IT_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                 93.90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.718
_cell_length_b                   18.313
_cell_length_c                   13.128
_cell_volume                     2091.068
_database_code_amcsd             0012662
_exptl_crystal_density_diffrn    2.112
_cod_original_formula_sum
'(Ce.54 La.09 Pr.07 Nd.26 Sm.04) Al S2 C2 O24 H24'
_cod_database_code               9013065
The crystal structure of liberite
Han-ching C; Kexue Tongbao 17 (1966) 425–428; doi:

data_9013066
_publ_section_title
;
 The crystal structure of liberite
;
_journal_name_full               'Kexue Tongbao'
_journal_page_first              425
_journal_page_last               428
_journal_volume                  17
_journal_year                    1966
_chemical_formula_sum            'Be Li2 O4 Si'
_chemical_name_mineral           Liberite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.33
_cell_angle_gamma                90
_cell_length_a                   4.68
_cell_length_b                   4.95
_cell_length_c                   6.13
_cell_formula_units_Z            2
_cell_volume                     142.005
_database_code_amcsd             0014174
_exptl_crystal_density_diffrn    2.689
_cod_original_formula_sum        'Li2 Be Si O4'
_cod_database_code               9013066
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: As-free marcasite
Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.; International Journal of Coal Geology 71 (2007) 115–121; doi:10.1016/j.coal.2006.07.003

data_9013067
_publ_section_title
;
 Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
 Czech Republic
 Sample: As-free marcasite
;
_journal_name_full               'International Journal of Coal Geology'
_journal_page_first              115
_journal_page_last               121
_journal_paper_doi               10.1016/j.coal.2006.07.003
_journal_volume                  71
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe S2'
_chemical_name_mineral           Marcasite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.4446
_cell_length_b                   5.4246
_cell_length_c                   3.3864
_cell_formula_units_Z            2
_cell_volume                     81.647
_database_code_amcsd             0012726
_exptl_crystal_density_diffrn    4.880
_cod_database_code               9013067
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: Natural As-marcasite
Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.; International Journal of Coal Geology 71 (2007) 115–121; doi:10.1016/j.coal.2006.07.003

data_9013068
_publ_section_title
;
 Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
 Czech Republic
 Sample: Natural As-marcasite
;
_journal_name_full               'International Journal of Coal Geology'
_journal_page_first              115
_journal_page_last               121
_journal_paper_doi               10.1016/j.coal.2006.07.003
_journal_volume                  71
_journal_year                    2007
_chemical_compound_source
'Dul CSA mine, North Bohemian Basin, Czech Republic'
_chemical_formula_sum            'As0.4 Fe S1.6'
_chemical_name_mineral           Marcasite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.449
_cell_length_b                   5.432
_cell_length_c                   3.391
_cell_formula_units_Z            2
_cell_volume                     81.950
_database_code_amcsd             0012727
_exptl_crystal_density_diffrn    5.557
_cod_original_formula_sum        'Fe (S1.6 As.4)'
_cod_database_code               9013068
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: As-free pyrite
Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.; International Journal of Coal Geology 71 (2007) 115–121; doi:10.1016/j.coal.2006.07.003

data_9013069
_publ_section_title
;
 Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
 Czech Republic
 Sample: As-free pyrite
;
_journal_name_full               'International Journal of Coal Geology'
_journal_page_first              115
_journal_page_last               121
_journal_paper_doi               10.1016/j.coal.2006.07.003
_journal_volume                  71
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe S2'
_chemical_name_mineral           Pyrite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.416
_cell_length_b                   5.416
_cell_length_c                   5.416
_cell_formula_units_Z            4
_cell_volume                     158.868
_database_code_amcsd             0012728
_exptl_crystal_density_diffrn    5.016
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9013069
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: As-pyrite
Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.; International Journal of Coal Geology 71 (2007) 115–121; doi:10.1016/j.coal.2006.07.003

data_9013070
_publ_section_title
;
 Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
 Czech Republic
 Sample: As-pyrite
;
_journal_name_full               'International Journal of Coal Geology'
_journal_page_first              115
_journal_page_last               121
_journal_paper_doi               10.1016/j.coal.2006.07.003
_journal_volume                  71
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As0.026 Fe S1.974'
_chemical_name_mineral           Pyrite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.428
_cell_length_b                   5.428
_cell_length_c                   5.428
_cell_formula_units_Z            4
_cell_volume                     159.926
_database_code_amcsd             0012729
_exptl_crystal_density_diffrn    5.029
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Fe (S1.974 As.026)'
_cod_database_code               9013070
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: natural As-pyrite
Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.; International Journal of Coal Geology 71 (2007) 115–121; doi:10.1016/j.coal.2006.07.003

data_9013071
_publ_section_title
;
 Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
 Czech Republic
 Sample: natural As-pyrite
;
_journal_name_full               'International Journal of Coal Geology'
_journal_page_first              115
_journal_page_last               121
_journal_paper_doi               10.1016/j.coal.2006.07.003
_journal_volume                  71
_journal_year                    2007
_chemical_compound_source
'Dul CSA mine, North Bohemian Basin, Czech Republic'
_chemical_formula_sum            'As0.54 Fe S1.46'
_chemical_name_mineral           Pyrite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.429
_cell_length_b                   5.429
_cell_length_c                   5.429
_cell_formula_units_Z            4
_cell_volume                     160.015
_database_code_amcsd             0012730
_exptl_crystal_density_diffrn    5.941
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Fe (S1.46 As.54)'
_cod_database_code               9013071
"Pseudosinhalite", a new hydrous MgAl-borate: synthesis, phase characterization, crystal structure, and PT-stability Locality: synthetic
Daniels, P.; Krosse, S.; Werding, G.; Schreyer, W.; Contributions to Mineralogy and Petrology 128 (1997) 261–271; doi:10.1007/s004100050307

data_9013072
_publ_section_title
;"Pseudosinhalite", a new hydrous MgAl-borate: synthesis, phase
 characterization, crystal structure, and PT-stability Locality: synthetic
;
_journal_name_full               'Contributions to Mineralogy and Petrology'
_journal_page_first              261
_journal_page_last               271
_journal_paper_doi               10.1007/s004100050307
_journal_volume                  128
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al3 B2 H Mg2 O10'
_chemical_name_mineral           Pseudosinhalite
_space_group_IT_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                 110.68
_cell_angle_gamma                90
_cell_length_a                   7.455
_cell_length_b                   4.330
_cell_length_c                   9.825
_cell_formula_units_Z            2
_cell_volume                     296.718
_database_code_amcsd             0012323
_exptl_crystal_density_diffrn    3.494
_cod_original_cell_volume        296.717
_cod_original_formula_sum        'Al3 Mg2 B2 O10 H'
_cod_database_code               9013072
Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at T = 4.2 K Note: known as para-hydrogen
Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.; Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki 84 (1983) 394–403; doi:

data_9013073
_publ_section_title
;
 Neutron structural investigations of solid para-hydrogen at pressures
 up to 24 kbar
 Sample: at T = 4.2 K
 Note: known as para-hydrogen
;
_journal_name_full
'Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki'
_journal_page_first              394
_journal_page_last               403
_journal_volume                  84
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            H2
_chemical_name_common            Hydrogen
_chemical_name_mineral           Hydrogen
_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_length_a                   3.782
_cell_length_b                   3.782
_cell_length_c                   6.167
_cell_formula_units_Z            2
_cell_volume                     76.392
_database_code_amcsd             0015874
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    0.088
_cod_database_code               9013073
Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .00276 GPa & T = 4.2 K Note: known as para-hydrogen
Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.; Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki 84 (1983) 394–403; doi:

data_9013074
_publ_section_title
;
 Neutron structural investigations of solid para-hydrogen at pressures
 up to 24 kbar
 Sample: at P = .00276 GPa & T = 4.2 K
 Note: known as para-hydrogen
;
_journal_name_full
'Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki'
_journal_page_first              394
_journal_page_last               403
_journal_volume                  84
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            H2
_chemical_name_common            Hydrogen
_chemical_name_mineral           Hydrogen
_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_length_a                   3.767
_cell_length_b                   3.767
_cell_length_c                   6.136
_cell_formula_units_Z            2
_cell_volume                     75.406
_database_code_amcsd             0015875
_diffrn_ambient_pressure         2760
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    0.089
_cod_database_code               9013074
Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .00235 GPa & T = 4.2 K Note: known as para-hydrogen
Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.; Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki 84 (1983) 394–403; doi:

data_9013075
_publ_section_title
;
 Neutron structural investigations of solid para-hydrogen at pressures
 up to 24 kbar
 Sample: at P = .00235 GPa & T = 4.2 K
 Note: known as para-hydrogen
;
_journal_name_full
'Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki'
_journal_page_first              394
_journal_page_last               403
_journal_volume                  84
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            H2
_chemical_name_common            Hydrogen
_chemical_name_mineral           Hydrogen
_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_length_a                   3.761
_cell_length_b                   3.761
_cell_length_c                   6.154
_cell_formula_units_Z            2
_cell_volume                     75.387
_database_code_amcsd             0015876
_diffrn_ambient_pressure         2350
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    0.089
_cod_database_code               9013075
Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .00488 GPa & T = 4.2 K Note: known as para-hydrogen
Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.; Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki 84 (1983) 394–403; doi:

data_9013076
_publ_section_title
;
 Neutron structural investigations of solid para-hydrogen at pressures
 up to 24 kbar
 Sample: at P = .00488 GPa & T = 4.2 K
 Note: known as para-hydrogen
;
_journal_name_full
'Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki'
_journal_page_first              394
_journal_page_last               403
_journal_volume                  84
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            H2
_chemical_name_common            Hydrogen
_chemical_name_mineral           Hydrogen
_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_length_a                   3.755
_cell_length_b                   3.755
_cell_length_c                   6.119
_cell_formula_units_Z            2
_cell_volume                     74.719
_database_code_amcsd             0015877
_diffrn_ambient_pressure         4880
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    0.090
_cod_database_code               9013076
Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .01024 GPa & T = 4.2 K Note: known as para-hydrogen
Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.; Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki 84 (1983) 394–403; doi:

data_9013077
_publ_section_title
;
 Neutron structural investigations of solid para-hydrogen at pressures
 up to 24 kbar
 Sample: at P = .01024 GPa & T = 4.2 K
 Note: known as para-hydrogen
;
_journal_name_full
'Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki'
_journal_page_first              394
_journal_page_last               403
_journal_volume                  84
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            H2
_chemical_name_common            Hydrogen
_chemical_name_mineral           Hydrogen
_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_length_a                   3.720
_cell_length_b                   3.720
_cell_length_c                   6.078
_cell_formula_units_Z            2
_cell_volume                     72.841
_database_code_amcsd             0015878
_diffrn_ambient_pressure         10240
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    0.092
_cod_database_code               9013077
Neutron structural investigations of solid para-hydrogen at pressures up to 24 kbar Sample: at P = .01294 GPa & T = 4.2 K Note: known as para-hydrogen
Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Vindryevsky, B. A.; Sukhoparov, V. A.; Telepnev, A. S.; Kobelyev, G. V.; Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki 84 (1983) 394–403; doi:

data_9013078
_publ_section_title
;
 Neutron structural investigations of solid para-hydrogen at pressures
 up to 24 kbar
 Sample: at P = .01294 GPa & T = 4.2 K
 Note: known as para-hydrogen
;
_journal_name_full
'Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki'
_journal_page_first              394
_journal_page_last               403
_journal_volume                  84
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            H2
_chemical_name_common            Hydrogen
_chemical_name_mineral           Hydrogen
_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_length_a                   3.713
_cell_length_b                   3.713
_cell_length_c                   6.056
_cell_formula_units_Z            2
_cell_volume                     72.305
_database_code_amcsd             0015879
_diffrn_ambient_pressure         12940
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    0.093
_cod_database_code               9013078