LMucko/crystallography-open-database huggingface dataset:
Foitite, _[Fe2(Al,Fe)]Al6Si6O18(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure
MacDonald, D. J.; Hawthorne, F. C.; Grice, J. D.; American Mineralogist 78 (1993) 1299–1303; doi:

data_9001571
_publ_section_title
;
 Foitite, _[Fe2(Al,Fe)]Al6Si6O18(BO3)3(OH)4, a new alkali-deficient
 tourmaline: Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1299
_journal_page_last               1303
_journal_volume                  78
_journal_year                    1993
_chemical_compound_source
'likely White Queen mine, San Diego County, California, USA'
_chemical_formula_sum
'Al6.891 B3 Fe1.599 Li0.219 Mg0.051 Mn0.24 Na0.25 O31 Si6'
_chemical_name_mineral           Foitite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.967
_cell_length_b                   15.967
_cell_length_c                   7.126
_cell_formula_units_Z            3
_cell_volume                     1573.342
_database_code_amcsd             0001622
_exptl_crystal_density_diffrn    3.147
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.25 Al6.891 Fe1.599 Mn.24 Mg.051 Li.219 Si6 B3 O31'
_cod_database_code               9001571
Lindqvistite, Pb2MeFe16O27, a novel hexagonal ferrite mineral from Jakobsberg, Filipstad, Sweden
Holtstam, D.; Norrestam, R.; American Mineralogist 78 (1993) 1304–1312; doi:

data_9001572
_publ_section_title
;Lindqvistite, Pb2MeFe16O27, a novel hexagonal ferrite mineral from
 Jakobsberg, Filipstad, Sweden
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1304
_journal_page_last               1312
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Fe16.2 Mg0.98 O27 Pb1.818'
_chemical_name_mineral           Lindqvistite
_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                   5.952
_cell_length_b                   5.952
_cell_length_c                   33.379
_cell_volume                     1024.070
_database_code_amcsd             0001623
_exptl_crystal_density_diffrn    5.634
_cod_original_formula_sum        'Pb1.818 Mg.98 Fe16.2 O27'
_cod_database_code               9001572
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si disorder Sample: SUNY 859
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 78 (1993) 1320–1323; doi:

data_9001573
_publ_section_title
;
 Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
 disorder
 Sample: SUNY 859
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1320
_journal_page_last               1323
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Mg2 O4 Si'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0709
_cell_length_b                   8.0709
_cell_length_c                   8.0709
_cell_formula_units_Z            8
_cell_volume                     525.734
_database_code_amcsd             0001624
_exptl_crystal_density_diffrn    3.555
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si Mg2 O4'
_cod_database_code               9001573
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si disorder Sample: SUNY 1013
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 78 (1993) 1320–1323; doi:

data_9001574
_publ_section_title
;
 Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
 disorder
 Sample: SUNY 1013
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1320
_journal_page_last               1323
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Fe1.234 Mg0.766 O4 Si'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1763
_cell_length_b                   8.1763
_cell_length_c                   8.1763
_cell_formula_units_Z            8
_cell_volume                     546.601
_database_code_amcsd             0001625
_exptl_crystal_density_diffrn    4.365
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si (Mg.766 Fe1.234) O4'
_cod_database_code               9001574
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si disorder Sample: SUNY 1097
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 78 (1993) 1320–1323; doi:

data_9001575
_publ_section_title
;
 Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
 disorder
 Sample: SUNY 1097
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1320
_journal_page_last               1323
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Fe1.58 Mg0.42 O4 Si'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.2030
_cell_length_b                   8.2030
_cell_length_c                   8.2030
_cell_formula_units_Z            8
_cell_volume                     551.973
_database_code_amcsd             0001626
_exptl_crystal_density_diffrn    4.585
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si (Mg.42 Fe1.58) O4'
_cod_database_code               9001575
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si disorder Sample: SUNY 1102
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 78 (1993) 1320–1323; doi:

data_9001576
_publ_section_title
;
 Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si
 disorder
 Sample: SUNY 1102
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1320
_journal_page_last               1323
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Fe1.564 Mg0.436 O4 Si'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.2059
_cell_length_b                   8.2059
_cell_length_c                   8.2059
_cell_formula_units_Z            8
_cell_volume                     552.559
_database_code_amcsd             0001627
_exptl_crystal_density_diffrn    4.568
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si (Mg.436 Fe1.564) O4'
_cod_database_code               9001576
Effects of pressure on Mg-Fe ordering in orthopyroxene synthesized at 11.3 GPa and 1600 C
Hazen, R. M.; Finger, L. W.; Ko, J.; American Mineralogist 78 (1993) 1336–1339; doi:

data_9001577
_publ_section_title
;Effects of pressure on Mg-Fe ordering in orthopyroxene synthesized at 11.3
 GPa and 1600 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1336
_journal_page_last               1339
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Fe0.44 Mg0.56 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_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_length_a                   18.312
_cell_length_b                   8.917
_cell_length_c                   5.217
_cell_formula_units_Z            16
_cell_volume                     851.874
_database_code_amcsd             0001628
_exptl_crystal_density_diffrn    3.564
_exptl_crystal_pressure_history  'synthesized at 11.3 GPa'
_exptl_crystal_thermal_history   'synthesized at 11.3 GPa and 1600 C'
_cod_original_formula_sum        '(Mg.56 Fe.44) Si O3'
_cod_database_code               9001577
The pressure behavior of alpha cristobalite P = room pressure
Downs, R. T.; Palmer, D. C.; American Mineralogist 79 (1994) 9–14; doi:

data_9001578
_publ_section_title
;
 The pressure behavior of alpha cristobalite
 P = room pressure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              9
_journal_page_last               14
_journal_volume                  79
_journal_year                    1994
_chemical_compound_source        'Ellora Caves, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9717
_cell_length_b                   4.9717
_cell_length_c                   6.9223
_cell_formula_units_Z            4
_cell_volume                     171.104
_database_code_amcsd             0001629
_exptl_crystal_density_diffrn    2.332
_cod_original_formula_sum        'Si O2'
_cod_database_code               9001578
The pressure behavior of alpha cristobalite P = 0.19 GPa
Downs, R. T.; Palmer, D. C.; American Mineralogist 79 (1994) 9–14; doi:

data_9001579
_publ_section_title
;
 The pressure behavior of alpha cristobalite
 P = 0.19 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              9
_journal_page_last               14
_journal_volume                  79
_journal_year                    1994
_chemical_compound_source        'Ellora Caves, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9501
_cell_length_b                   4.9501
_cell_length_c                   6.8760
_cell_formula_units_Z            4
_cell_volume                     168.486
_database_code_amcsd             0001630
_diffrn_ambient_pressure         1.9e+05
_exptl_crystal_density_diffrn    2.369
_cod_original_formula_sum        'Si O2'
_cod_database_code               9001579
The pressure behavior of alpha cristobalite P = 0.73 GPa
Downs, R. T.; Palmer, D. C.; American Mineralogist 79 (1994) 9–14; doi:

data_9001580
_publ_section_title
;
 The pressure behavior of alpha cristobalite
 P = 0.73 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              9
_journal_page_last               14
_journal_volume                  79
_journal_year                    1994
_chemical_compound_source        'Ellora Caves, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9028
_cell_length_b                   4.9028
_cell_length_c                   6.7782
_cell_formula_units_Z            4
_cell_volume                     162.931
_database_code_amcsd             0001631
_diffrn_ambient_pressure         7.3e+05
_exptl_crystal_density_diffrn    2.449
_cod_original_formula_sum        'Si O2'
_cod_database_code               9001580
The pressure behavior of alpha cristobalite P = 1.05 GPa
Downs, R. T.; Palmer, D. C.; American Mineralogist 79 (1994) 9–14; doi:

data_9001581
_publ_section_title
;
 The pressure behavior of alpha cristobalite
 P = 1.05 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              9
_journal_page_last               14
_journal_volume                  79
_journal_year                    1994
_chemical_compound_source        'Ellora Caves, India'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.8757
_cell_length_b                   4.8757
_cell_length_c                   6.7163
_cell_formula_units_Z            4
_cell_volume                     159.663
_database_code_amcsd             0001632
_diffrn_ambient_pressure         1.05e+06
_exptl_crystal_density_diffrn    2.500
_cod_original_formula_sum        'Si O2'
_cod_database_code               9001581
Crystal chemistry and microstructures of plutonic biotite Sample 1M from Valle del Cervo syenitic complex
Bigi, S.; Brigatti, M. F.; American Mineralogist 79 (1994) 63–72; doi:

data_9001582
_publ_section_title
;
 Crystal chemistry and microstructures of plutonic biotite
 Sample 1M from Valle del Cervo syenitic complex
;
_journal_name_full               'American Mineralogist'
_journal_page_first              63
_journal_page_last               72
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum
'Al1.207 Fe0.4 K1.906 Mg0.512 Mn0.007 Na0.034 O12 Si2.808 Ti0.067'
_chemical_name_mineral           Biotite
_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                 100.08
_cell_angle_gamma                90
_cell_length_a                   5.335
_cell_length_b                   9.244
_cell_length_c                   10.206
_cell_formula_units_Z            2
_cell_volume                     495.557
_database_code_amcsd             0001633
_exptl_crystal_density_diffrn    2.795
_cod_original_cell_volume        495.558
_cod_original_formula_sum
'Si2.808 Al1.207 Fe.4 Mg.512 Mn.007 Ti.067 Na.034 K1.906 O12'
_cod_database_code               9001582
Crystal chemistry and microstructures of plutonic biotite Sample 2M1 from Valle del Cervo syenitic complex
Bigi, S.; Brigatti, M. F.; American Mineralogist 79 (1994) 63–72; doi:

data_9001583
_publ_section_title
;
 Crystal chemistry and microstructures of plutonic biotite
 Sample 2M1 from Valle del Cervo syenitic complex
;
_journal_name_full               'American Mineralogist'
_journal_page_first              63
_journal_page_last               72
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum
'Al1.216 Fe1.215 K0.946 Mg1.545 Mn0.018 Na0.032 O12 Si2.784 Ti0.225'
_chemical_name_mineral           Biotite
_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                 95.06
_cell_angle_gamma                90
_cell_length_a                   5.339
_cell_length_b                   9.249
_cell_length_c                   20.196
_cell_formula_units_Z            4
_cell_volume                     993.400
_database_code_amcsd             0001634
_exptl_crystal_density_diffrn    3.062
_cod_original_formula_sum
'(Si2.784 Al1.216) Fe1.215 Mg1.545 Mn.018 Ti.225 K.946 Na.032 O12'
_cod_database_code               9001583
Structure and polytypism of bementite, a modulated layer silicate
Heinrich, A. R.; Eggleton, R. A.; Guggenheim, S.; American Mineralogist 79 (1994) 91–106; doi:

data_9001584
_publ_section_title
;
 Structure and polytypism of bementite, a modulated layer silicate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              91
_journal_page_last               106
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Mn6.683 O23 Si6'
_chemical_name_mineral           Bementite
_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                 95.54
_cell_angle_gamma                90
_cell_length_a                   14.838
_cell_length_b                   17.584
_cell_length_c                   14.700
_cell_formula_units_Z            8
_cell_volume                     3817.482
_database_code_amcsd             0001635
_exptl_crystal_density_diffrn    3.144
_cod_original_cell_volume        3817.483
_cod_original_formula_sum        'Si6 Mn6.683 O23'
_cod_database_code               9001584
Maricopaite, an unusual lead calcium zeolite with an interrupted mordenite-like framework and intrachannel Pb4 tetrahedral clusters
Rouse, R. C.; Peacor, D. R.; American Mineralogist 79 (1994) 175–184; doi:

data_9001585
_publ_section_title
;Maricopaite, an unusual lead calcium zeolite with an interrupted
 mordenite-like framework and intrachannel Pb4 tetrahedral clusters
;
_journal_name_full               'American Mineralogist'
_journal_page_first              175
_journal_page_last               184
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Al5.808 H46 O59.5 Pb3.746 Si18.192'
_chemical_name_mineral           Maricopaite
_space_group_IT_number           38
_symmetry_space_group_name_Hall  'C -2 -2'
_symmetry_space_group_name_H-M   'C m 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.434
_cell_length_b                   19.702
_cell_length_c                   7.538
_cell_volume                     2886.215
_database_code_amcsd             0001636
_exptl_crystal_density_diffrn    2.810
_cod_original_formula_sum        'Pb3.746 (Si18.192 Al5.808) O59.5 H46'
_cod_database_code               9001585
Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to 9.3 GPa P = 0.4 GPa
Parise, J. B.; Leinenweber, K.; Weidner, D. J.; Tan, K.; Von Dreele, R. B.; American Mineralogist 79 (1994) 193–196; doi:

data_9001586
_publ_section_title
;Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to
 9.3 GPa P = 0.4 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'D1.998 Mg O2'
_chemical_name_mineral           'Brucite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.1382
_cell_length_b                   3.1382
_cell_length_c                   4.713
_cell_formula_units_Z            1
_cell_volume                     40.197
_diffrn_ambient_pressure         4e+05
_exptl_crystal_density_diffrn    2.492
_cod_original_formula_sum        'Mg O2 D1.998'
_cod_database_code               9001586
_database_code_amcsd 0001637
Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to 9.3 GPa P = 1.9 GPa
Parise, J. B.; Leinenweber, K.; Weidner, D. J.; Tan, K.; Von Dreele, R. B.; American Mineralogist 79 (1994) 193–196; doi:

data_9001587
_publ_section_title
;Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to
 9.3 GPa P = 1.9 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'D1.998 Mg O2'
_chemical_name_mineral           'Brucite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.1167
_cell_length_b                   3.1167
_cell_length_c                   4.630
_cell_formula_units_Z            1
_cell_volume                     38.949
_diffrn_ambient_pressure         1.9e+06
_exptl_crystal_density_diffrn    2.572
_cod_original_formula_sum        'Mg O2 D1.998'
_cod_database_code               9001587
_database_code_amcsd 0001638
Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to 9.3 GPa P = 5.4 GPa
Parise, J. B.; Leinenweber, K.; Weidner, D. J.; Tan, K.; Von Dreele, R. B.; American Mineralogist 79 (1994) 193–196; doi:

data_9001588
_publ_section_title
;Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to
 9.3 GPa P = 5.4 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'D1.998 Mg O2'
_chemical_name_mineral           'Brucite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.0728
_cell_length_b                   3.0728
_cell_length_c                   4.496
_cell_formula_units_Z            1
_cell_volume                     36.764
_diffrn_ambient_pressure         5.4e+06
_exptl_crystal_density_diffrn    2.725
_cod_original_formula_sum        'Mg O2 D1.998'
_cod_database_code               9001588
_database_code_amcsd 0001639
Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to 9.3 GPa P = 9.3 GPa
Parise, J. B.; Leinenweber, K.; Weidner, D. J.; Tan, K.; Von Dreele, R. B.; American Mineralogist 79 (1994) 193–196; doi:

data_9001589
_publ_section_title
;Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to
 9.3 GPa P = 9.3 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'D1.998 Mg O2'
_chemical_name_mineral           'Brucite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.0365
_cell_length_b                   3.0365
_cell_length_c                   4.403
_cell_formula_units_Z            1
_cell_volume                     35.158
_diffrn_ambient_pressure         9.3e+06
_exptl_crystal_density_diffrn    2.849
_cod_original_formula_sum        'Mg O2 D1.998'
_cod_database_code               9001589
_database_code_amcsd 0001640