LMucko/crystallography-open-database huggingface dataset:
Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N00
Ardit, M.; Dondi, M.; Cruciani, G.; American Mineralogist 97 (2012) 910–917; doi:10.2138/am.2012.3977

data_9016634
_publ_section_title
;
 Structural stability, cation ordering, and local
 relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
 Note: Sample label: N00
;
_journal_name_full               'American Mineralogist'
_journal_page_first              910
_journal_page_last               917
_journal_paper_doi               10.2138/am.2012.3977
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.5 Nb0.5 O2'
_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                 107.62
_cell_angle_gamma                90
_cell_length_a                   12.1545
_cell_length_b                   3.7350
_cell_length_c                   6.4884
_cell_formula_units_Z            8
_cell_volume                     280.735
_database_code_amcsd             0019051
_exptl_crystal_density_diffrn    4.351
_cod_original_formula_sum        '(Al.5 Nb.5) O2'
_cod_database_code               9016634
_amcsd_formula_title             AlNbO4
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 19.82 GPa, T = 1073 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9016635
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 19.82 GPa, T = 1073 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_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                   3.495
_cell_length_b                   3.495
_cell_length_c                   3.495
_cell_formula_units_Z            4
_cell_volume                     42.692
_database_code_amcsd             0019456
_exptl_crystal_density_diffrn    8.689
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9016635
Investigations on olenite with exess boron from Koralpe, Styria, Austria
Ertl, A.; Pertlik, F.; Bernhardt, H. J.; Anzeiger der Osterreichische Akademie der Wissenschaften 134 (1997) 3–10; doi:

data_9016636
_publ_section_title
;
 Investigations on olenite with exess boron from Koralpe, Styria, Austria
;
_journal_name_full
'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_page_first              3
_journal_page_last               10
_journal_volume                  134
_journal_year                    1997
_chemical_compound_source        'Koralpe, Styria, Austria'
_chemical_formula_sum
'Al8.262 B3.762 Ca0.3 F0.15 H5.7 Li0.738 Na0.42 O30.85 Si5.238'
_chemical_name_mineral           Olenite
_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_formula_units_Z            3
_cell_length_a                   15.7395
_cell_length_b                   15.7395
_cell_length_c                   7.0656
_cell_volume                     1515.869
_database_code_amcsd             0018673
_exptl_crystal_density_diffrn    3.088
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.42 Ca.3 (Al8.262 Li.738) Si5.238 B3.762 O30.85 F.15 H5.7'
_cod_database_code               9016636
Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 2
Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Koneva, A. A.; Raudsepp, M.; The Canadian Mineralogist 50 (2012) 1281–1290; doi:10.3749/canmin.50.5.1281

data_9016637
_publ_section_title
;
 Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE
 deposit, Irkutsk, Russia
 Note: crystal 2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1281
_journal_page_last               1290
_journal_paper_doi               10.3749/canmin.50.5.1281
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'Biraya Fe-REE deposit, Irkutsk, Russia'
_chemical_formula_sum
'C4 H0.19 Ba Ca0.39 Ce0.66 F0.75 La0.7 Na0.61 Nd0.12 O12.19 Pr0.04 Sr0.46'
_chemical_name_mineral           Cordylite-(La)
_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                   5.1196
_cell_length_b                   5.1196
_cell_length_c                   23.1784
_cell_volume                     526.122
_database_code_amcsd             0019704
_exptl_crystal_density_diffrn    4.276
_cod_original_formula_sum
'Ba La.7 Ce.66 Sr.46 Nd.12 Pr.04 (Na.61 Ca.39) F.75 O12.19 C4 H.19'
_cod_database_code               9016637
Structures of the ferroelectric phases of barium titanate Note: T = 270 K
Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.; Journal of Physical Chemistry 97 (1993) 2368–2377; doi:10.1021/j100112a043

data_9016638
_publ_section_title
;
 Structures of the ferroelectric phases of barium titanate
 Note: T = 270 K
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2368
_journal_page_last               2377
_journal_paper_doi               10.1021/j100112a043
_journal_volume                  97
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba O3 Ti'
_chemical_name_mineral           Barioperovskite
_space_group_IT_number           38
_symmetry_space_group_name_Hall  'A 2 -2'
_symmetry_space_group_name_H-M   'A m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9874
_cell_length_b                   5.6751
_cell_length_c                   5.6901
_cell_formula_units_Z            2
_cell_volume                     128.761
_database_code_amcsd             0018596
_exptl_crystal_density_diffrn    6.015
_cod_original_formula_sum        'Ba Ti O3'
_cod_database_code               9016638
Stoichiometric arsenopyrite, FeAsS, from La Roche-Balue Quarry, Loire-Atlantique, France: Crystal structure and Mossbauer study
Bindi, L.; Moelo, Y.; Leone, P.; Suchaud, M.; The Canadian Mineralogist 50 (2012) 471–479; doi:10.3749/canmin.50.2.471

data_9016639
_publ_section_title
;
 Stoichiometric arsenopyrite, FeAsS, from La Roche-Balue Quarry,
 Loire-Atlantique, France: Crystal structure and Mossbauer study
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              471
_journal_page_last               479
_journal_paper_doi               10.3749/canmin.50.2.471
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'La Roche-Balue Quarry, Loire-Atlantique, France'
_chemical_formula_sum            'As Fe S'
_chemical_name_mineral           Arsenopyrite
_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                 111.721
_cell_angle_gamma                90
_cell_length_a                   5.7612
_cell_length_b                   5.6841
_cell_length_c                   5.7674
_cell_formula_units_Z            4
_cell_volume                     175.456
_database_code_amcsd             0019195
_exptl_crystal_density_diffrn    6.164
_cod_original_formula_sum        'Fe As S'
_cod_database_code               9016639
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P1, P = 1.89 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9016640
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P1, P = 1.89 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.676
_cell_length_b                   4.676
_cell_length_c                   15.310
_cell_formula_units_Z            6
_cell_volume                     289.904
_database_code_amcsd             0017562
_exptl_crystal_density_diffrn    3.982
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9016640
The Crystal Structure of Neodymium Enneahydrate, Nd (Br O3)3 (H2 O)9 _cod_database_code 1010204
Helmholz, L.; Journal of the American Chemical Society 61 (1939) 1544–1550; doi:10.1021/ja01875a062

data_9016641
_publ_section_title
;
 The Crystal Structure of Neodymium Enneahydrate, Nd (Br O3)3 (H2
 O)9
 _cod_database_code 1010204
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1544
_journal_page_last               1550
_journal_paper_doi               10.1021/ja01875a062
_journal_volume                  61
_journal_year                    1939
_chemical_formula_sum            'Br3 Nd O18'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.73
_cell_length_b                   11.73
_cell_length_c                   6.76
_cell_formula_units_Z            2
_cell_volume                     805.514
_database_code_amcsd             0017140
_exptl_crystal_density_diffrn    2.770
_cod_duplicate_entry             1010204
_cod_original_formula_sum        'Nd Br3 O18'
_cod_database_code               9016641
_amcsd_formula_title             'Br3 H18 Nd O18'
Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd3 (P3 O9)2 (H2 O)14
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 32 (1976) 1533–1535; doi:10.1107/S0567740876005712

data_9016642
_publ_section_title
;
 Etude a basse temperature du trimetaphosphate de cadmium tetradeca-
 hydrate Cd3 (P3 O9)2 (H2 O)14
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1533
_journal_page_last               1535
_journal_paper_doi               10.1107/S0567740876005712
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cd O10 P2'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.197
_cell_length_b                   12.197
_cell_length_c                   5.470
_cell_formula_units_Z            3
_cell_volume                     704.732
_database_code_amcsd             0009561
_exptl_crystal_density_diffrn    2.363
_cod_duplicate_entry             1007004
_cod_original_formula_sum        'Cd P2 O10'
_cod_database_code               9016642
_amcsd_formula_title             'Cd3 H28 O32 P6'
Structure of tetracaesium tetrametaphosphate tetrahydrate. _cod_database_code 1007166
Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 42 (1986) 131–133; doi:10.1107/S0108270186097044

data_9016643
_publ_section_title
;
 Structure of tetracaesium tetrametaphosphate tetrahydrate.
 _cod_database_code 1007166
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              131
_journal_page_last               133
_journal_paper_doi               10.1107/S0108270186097044
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'Cs O4 P'
_space_group_IT_number           76
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.466
_cell_length_b                   9.466
_cell_length_c                   21.933
_cell_formula_units_Z            16
_cell_volume                     1965.310
_database_code_amcsd             0010025
_exptl_crystal_density_diffrn    3.081
_cod_duplicate_entry             1007166
_cod_original_formula_sum        'Cs P O4'
_cod_database_code               9016643
_amcsd_formula_title             'Cs4 H8 O16 P4'
High-pressure synthetic (Na0.97Mg0.03)(Mg0.43Fe3+0.17Si0.40)Si2O6, with six-coordinated silicon, isostructural with P2/n omphacite
Posner, E. S.; Konzett, J.; Frost, D. J.; Downs, R. T.; Yang, H.; Acta Crystallographica, Section E 68 (2012) i18–i18; doi:10.1107/S1600536812002966

data_9016644
_publ_section_title
;
 High-pressure synthetic (Na0.97Mg0.03)(Mg0.43Fe3+0.17Si0.40)Si2O6,
 with six-coordinated silicon, isostructural with P2/n omphacite
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i18
_journal_page_last               i18
_journal_paper_doi               10.1107/S1600536812002966
_journal_volume                  68
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.34 Mg0.92 Na1.94 O12 Si4.8'
_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                 108.003
_cell_angle_gamma                90
_cell_length_a                   9.4432
_cell_length_b                   8.6457
_cell_length_c                   5.2540
_cell_formula_units_Z            2
_cell_volume                     407.951
_database_code_amcsd             0018651
_exptl_crystal_density_diffrn    3.360
_cod_original_formula_sum        'Na1.94 Mg.92 Fe.34 Si4.8 O12'
_cod_database_code               9016644
_amcsd_formula_title             (Na0.97Mg0.03)(Mg0.43Fe3+0.17Si0.40)Si2O6
_cod_duplicate_entry 2233440
Crystal structure of bultfonteinite, Ca4[SiO3(OH)]2F2*2H2O, from N'chwaning II mine (Kalahari Manganese Field, Republic of South Africa)
Biagioni, C.; Bonaccorsi, E.; Merlino, S.; Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A 115 (2010) 9–15; doi:

data_9016645
_publ_section_title
;
 Crystal structure of bultfonteinite, Ca4[SiO3(OH)]2F2*2H2O, from N'chwaning II mine
 (Kalahari Manganese Field, Republic of South Africa)
;
_journal_name_full
'Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A'
_journal_page_first              9
_journal_page_last               15
_journal_volume                  115
_journal_year                    2010
_chemical_compound_source        'N'chwaning II mine, South Africa'
_chemical_formula_sum            'Ca2 F H3 O5 Si'
_chemical_name_mineral           Bultfonteinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.24
_cell_angle_beta                 89.00
_cell_angle_gamma                90.18
_cell_formula_units_Z            4
_cell_length_a                   10.999
_cell_length_b                   8.176
_cell_length_c                   5.6678
_cell_volume                     508.220
_database_code_amcsd             0018795
_exptl_crystal_density_diffrn    2.748
_cod_original_formula_sum        'Ca2 Si F O5 H3'
_cod_database_code               9016645
Die wasserstoffpositionen im bayerit, Al(OH)3 Note: T = 4 K
Zigan, F.; Joswig, W.; Burger, N.; Zeitschrift fur Kristallographie 148 (1978) 255–273; doi:

data_9016646
_publ_section_title
;
 Die wasserstoffpositionen im bayerit, Al(OH)3
 Note: T = 4 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              255
_journal_page_last               273
_journal_volume                  148
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al H3 O3'
_chemical_name_mineral           Bayerite
_space_group_IT_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                 90.26
_cell_angle_gamma                90
_cell_length_a                   5.0626
_cell_length_b                   8.6719
_cell_length_c                   9.4254
_cell_formula_units_Z            8
_cell_volume                     413.793
_database_code_amcsd             0019360
_exptl_crystal_density_diffrn    2.504
_cod_original_formula_sum        'Al O3 H3'
_cod_database_code               9016646
Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m _cod_database_code 1000494
Fourquet, J.; Jacoboni, C.; de Pape, R.; Materials Research Bulletin 8 (1973) 393–404; doi:10.1016/0025-5408(73)90043-3

data_9016647
_publ_section_title
;
 Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
 A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m
 _cod_database_code 1000494
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              393
_journal_page_last               404
_journal_paper_doi               10.1016/0025-5408(73)90043-3
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'F0.5 Nb O2.5 Tl0.5'
_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                   10.506
_cell_length_b                   10.506
_cell_length_c                   10.506
_cell_formula_units_Z            16
_cell_volume                     1159.611
_database_code_amcsd             0014230
_exptl_crystal_density_diffrn    5.604
_cod_duplicate_entry             1000494
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Tl.5 Nb (O2.5 F.5)'
_cod_database_code               9016647
_amcsd_formula_title             'F Nb2 O5 Tl'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 22.34 GPa, T = 1073 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9016648
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 22.34 GPa, T = 1073 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_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                   3.484
_cell_length_b                   3.484
_cell_length_c                   3.484
_cell_formula_units_Z            4
_cell_volume                     42.290
_database_code_amcsd             0019457
_exptl_crystal_density_diffrn    8.772
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9016648
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q0, untreated
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9016649
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim20_q0, untreated
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe Nb0.13 O6 Ta1.87'
_chemical_name_mineral           Tapiolite-(Fe)
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7561
_cell_length_b                   4.7561
_cell_length_c                   9.2880
_cell_formula_units_Z            2
_cell_volume                     210.099
_database_code_amcsd             0018712
_exptl_crystal_density_diffrn    7.940
_cod_original_formula_sum        'Fe Ta1.87 Nb.13 O6'
_cod_database_code               9016649
Study of Zn-bearing beaverite Pb(Fe2Zn)(SO4)2(OH)6 obtained from Mikawa mine, Niigata Prefecture, Japan
Sato, E.; Nakai, I.; Terada, Y.; Tsutsumi, Y.; Yokoyama, K.; Miyawaki, R.; Matsubara, S.; Journal of Mineralogical and Petrological Sciences 103 (2008) 141–144; doi:10.2465/jmps.071021

data_9016650
_publ_section_title
;
 Study of Zn-bearing beaverite Pb(Fe2Zn)(SO4)2(OH)6
 obtained from Mikawa mine, Niigata Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              141
_journal_page_last               144
_journal_paper_doi               10.2465/jmps.071021
_journal_volume                  103
_journal_year                    2008
_chemical_compound_source        'Mikawa mine, Niigata Prefecture, Japan'
_chemical_formula_sum            'Al0.09 Cu0.27 Fe1.98 H6 O14 Pb S2 Zn0.75'
_chemical_name_mineral           Beaverite-(Zn)
_space_group_IT_number           166
_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_formula_units_Z            3
_cell_length_a                   7.3028
_cell_length_b                   7.3028
_cell_length_c                   17.0517
_cell_volume                     787.548
_database_code_amcsd             0018659
_exptl_crystal_density_diffrn    4.305
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb Fe1.98 Zn.75 Cu.27 Al.09 S2 O14 H6'
_cod_database_code               9016650