LMucko/crystallography-open-database huggingface dataset:
Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy
Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; The Canadian Mineralogist 48 (2010) 307–313; doi:10.3749/canmin.48.2.307

data_9014397
_publ_section_title
;
 Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate
 from La Fossa crater, Vulcano, Aeolian Islands, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              307
_journal_page_last               313
_journal_paper_doi               10.3749/canmin.48.2.307
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source
'La Fossa crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum
'Al0.107 Fe0.893 H10.404 K0.399 N2.601 O12 S3'
_chemical_name_mineral           Pyracmonite
_space_group_IT_number           161
_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                   15.2171
_cell_length_b                   15.2171
_cell_length_c                   8.9323
_cell_formula_units_Z            6
_cell_volume                     1791.256
_database_code_amcsd             0006332
_exptl_crystal_density_diffrn    2.244
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum
'(N2.601 K.399) H10.404 (Fe.893 Al.107) S3 O12'
_cod_database_code               9014397
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 20 K
Wood, I. G.; Vocadlo, L.; Knight, K. S.; Dobson, D. P.; Marshall, W. G.; Price, G. D.; Brodholt, J.; Journal of Applied Crystallography 37 (2004) 82–90; doi:10.1107/S0021889803024695

data_9014398
_publ_section_title
;
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
 determined by time-of-flight neutron powder diffraction
 Note: T = 20 K
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              82
_journal_page_last               90
_journal_paper_doi               10.1107/S0021889803024695
_journal_volume                  37
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.082
_cell_length_b                   6.733
_cell_length_c                   6.513
_cell_measurement_temperature    20
_cell_volume                     222.856
_database_code_amcsd             0019099
_diffrn_ambient_temperature      20
_exptl_crystal_density_diffrn    5.351
_cod_duplicate_entry             2300062
_cod_depositor_comments
;
 Adding the _cell_measurement_temperature and _diffrn_ambient_temperature
 data items after consulting the original publication.

 Antanas Vaitkus,
 2017-08-17

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-17
;
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9014398
Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7
Du, J. M.; Zeng, H. Y.; Song, L. J.; Dong, Z. C.; Ma, H. W.; Guo, G. C.; Huang, J. S.; Jiegou Huaxue 22 (2003) 33–36; doi:

data_9014399
_publ_section_title
;
 Synthesis and structure of a new polymorph Ba2CuSi2O7
 Note: known as beta-Ba2CuSi2O7
;
_journal_name_full               'Jiegou Huaxue'
_journal_page_first              33
_journal_page_last               36
_journal_volume                  22
_journal_year                    2003
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba2 Cu O7 Si2'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.284
_cell_length_b                   8.284
_cell_length_c                   5.313
_cell_formula_units_Z            2
_cell_volume                     364.603
_database_code_amcsd             0018759
_exptl_crystal_density_diffrn    4.612
_cod_original_formula_sum        'Ba2 Cu Si2 O7'
_cod_database_code               9014399
_amcsd_formula_title             Ba2CuSi2O7
Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-1
Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A.; Mineralogical Magazine 72 (2008) 799–808; doi:10.1180/minmag.2008.072.3.799

data_9014400
_publ_section_title
;
 Gemmological investigation of a synthetic blue beryl: a multi-methodological study
 Note: Sample: M2-1
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              799
_journal_page_last               808
_journal_paper_doi               10.1180/minmag.2008.072.3.799
_journal_volume                  72
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum
'Al1.884 Be2.859 Cu0.141 Fe0.116 H0.88 Li0.12 O18.44 Si6'
_chemical_name_mineral           Beryl
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.2502
_cell_length_b                   9.2502
_cell_length_c                   9.2184
_cell_volume                     683.107
_database_code_amcsd             0019164
_exptl_crystal_density_diffrn    2.709
_cod_original_formula_sum
'(Be2.859 Cu.141) (Al1.884 Fe.116) Si6 O18.44 Li.12 H.88'
_cod_database_code               9014400
In situ structure solution of helical sulphur at 3 GPa and 400 deg C P = 3 GPa, T = 400 C
Crichton, W. A.; Vaughan, G. B. M.; Mezouar, M.; Zeitschrift fur Kristallographie 216 (2001) 417–419; doi:10.1524/zkri.216.8.417.20360

data_9014401
_publ_section_title
;
 In situ structure solution of helical sulphur at 3 GPa and 400 deg C
 P = 3 GPa, T = 400 C
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              417
_journal_page_last               419
_journal_paper_doi               10.1524/zkri.216.8.417.20360
_journal_volume                  216
_journal_year                    2001
_chemical_compound_source        Synthetic
_chemical_formula_sum            S
_chemical_name_mineral           Sulphur
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.0897
_cell_length_b                   7.0897
_cell_length_c                   4.30238
_cell_formula_units_Z            9
_cell_volume                     187.282
_database_code_amcsd             0011091
_exptl_crystal_density_diffrn    2.559
_cod_database_code               9014401
Highly ordered distribution of the interpolated univalent cations in monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure _cod_database_code 1001727
Guesdon, A.; Leclaire, A.; Borel, M.; Raveau, B.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 385–396; doi:

data_9014402
_publ_section_title
;
 Highly ordered distribution of the interpolated univalent cations in
 monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure
 _cod_database_code 1001727
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              385
_journal_page_last               396
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'Cs2 K2 Mo4 O22 P4'
_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                 100.59
_cell_angle_gamma                90
_cell_length_a                   10.121
_cell_length_b                   10.154
_cell_length_c                   9.820
_cell_formula_units_Z            2
_cell_volume                     991.999
_database_code_amcsd             0012602
_exptl_crystal_density_diffrn    4.030
_cod_duplicate_entry             1001727
_cod_original_formula_sum        'Mo4 P4 K2 Cs2 O22'
_cod_database_code               9014402
_amcsd_formula_title             'Cs K Mo2 O11 P2'
Li^+^-H^+^ exchange on Li2TiTeO6 _cod_database_code 1000334
Crosnier, M.; Delarue, E.; Choisnet, J.; Fourquet, J.; European Journal of Solid State and Inorganic Chemistry 39 (1992) 321–332; doi:

data_9014403
_publ_section_title
;
 Li^+^-H^+^ exchange on Li2TiTeO6
 _cod_database_code 1000334
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              321
_journal_page_last               332
_journal_volume                  39
_journal_year                    1992
_chemical_formula_sum            'Li O3 Te0.5 Ti0.5'
_space_group_IT_number           34
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0743
_cell_length_b                   4.9067
_cell_length_c                   8.4083
_cell_formula_units_Z            4
_cell_volume                     209.350
_database_code_amcsd             0012626
_exptl_crystal_density_diffrn    4.527
_cod_duplicate_entry             1000334
_cod_original_formula_sum        'Li (Ti.5 Te.5) O3'
_cod_database_code               9014403
_amcsd_formula_title             'Li2 O6 Te Ti'
Linzhiite, FeSi2, a redefined and revalidated new mineral species from Luobusha, Tibet, China
Li, G.; Bai, W.; Shi, N.; Fang, Q.; Xiong, M.; Yang, J.; Ma, Z.; Rong, H.; European Journal of Mineralogy 24 (2012) 1047–1052; doi:10.1127/0935-1221/2012/0024-2237

data_9014404
_publ_section_title
;
 Linzhiite, FeSi2, a redefined and revalidated new mineral
 species from Luobusha, Tibet, China
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1047
_journal_page_last               1052
_journal_paper_doi               10.1127/0935-1221/2012/0024-2237
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source        'Luobusha, Tibet, China'
_chemical_formula_sum            'Fe Si2'
_chemical_name_mineral           Linzhiite
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.696
_cell_length_b                   2.696
_cell_length_c                   5.147
_cell_formula_units_Z            1
_cell_volume                     37.411
_database_code_amcsd             0019595
_exptl_crystal_density_diffrn    4.972
_cod_database_code               9014404
The crystal structure of copper sulfate pentahydrate CuSO4(H2O)5 _cod_database_code 1010527
Beevers, C.; Lipson, H.; Proceedings of the Royal Society of London A 146 (1934) 570–582; doi:10.1098/rspa.1934.0173

data_9014405
_publ_section_title
;
 The crystal structure of copper sulfate pentahydrate CuSO4(H2O)5
 _cod_database_code 1010527
;
_journal_name_full
'Proceedings of the Royal Society of London A'
_journal_page_first              570
_journal_page_last               582
_journal_paper_doi               10.1098/rspa.1934.0173
_journal_volume                  146
_journal_year                    1934
_chemical_formula_sum            'Cu O9 S'
_chemical_name_mineral           Chalcanthite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.27
_cell_angle_beta                 107.43
_cell_angle_gamma                102.67
_cell_length_a                   6.12
_cell_length_b                   10.7
_cell_length_c                   5.97
_cell_formula_units_Z            2
_cell_volume                     362.911
_database_code_amcsd             0017438
_exptl_crystal_density_diffrn    2.193
_cod_duplicate_entry             1010527
_cod_original_formula_sum        'Cu S O9'
_cod_database_code               9014405
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 340 K
Wood, I. G.; Vocadlo, L.; Knight, K. S.; Dobson, D. P.; Marshall, W. G.; Price, G. D.; Brodholt, J.; Journal of Applied Crystallography 37 (2004) 82–90; doi:10.1107/S0021889803024695

data_9014406
_publ_section_title
;
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
 determined by time-of-flight neutron powder diffraction
 Note: T = 340 K
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              82
_journal_page_last               90
_journal_paper_doi               10.1107/S0021889803024695
_journal_volume                  37
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.081
_cell_length_b                   6.756
_cell_length_c                   4.517
_cell_measurement_temperature    340
_cell_volume                     155.056
_database_code_amcsd             0019115
_diffrn_ambient_temperature      340
_exptl_crystal_density_diffrn    7.691
_cod_duplicate_entry             2300078
_cod_depositor_comments
;
 Adding the _cell_measurement_temperature and _diffrn_ambient_temperature
 data items after consulting the original publication.

 Antanas Vaitkus,
 2017-08-17

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-17
;
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9014406
The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: Sample 92459, 2H1 polytype of stichtite = barbertonite
Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A.; American Mineralogist 96 (2011) 179–187; doi:10.2138/am.2011.3531

data_9014407
_publ_section_title
;
 The crystal structure of stichtite, re-examination of barbertonite, and the
 nature of polytypism in MgCr hydrotalcites
 Note: Sample 92459, 2H1 polytype of stichtite = barbertonite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              179
_journal_page_last               187
_journal_paper_doi               10.2138/am.2011.3531
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Barberton, South Africa'
_chemical_formula_sum            'C0.097 H3.224 Cr0.19 Mg0.81 O2.903'
_chemical_name_mineral           Stichtite
_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                   3.09646
_cell_length_b                   3.09646
_cell_length_c                   15.627
_cell_volume                     129.759
_database_code_amcsd             0018332
_exptl_crystal_density_diffrn    2.058
_cod_original_formula_sum        '(Mg.81 Cr.19) O2.903 H3.224 C.097'
_cod_database_code               9014407
_cod_duplicate_entry 9014071
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU77
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9014408
_publ_section_title
;
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU77
;
_journal_name_full               'American Mineralogist'
_journal_page_first              724
_journal_page_last               735
_journal_paper_doi               10.2138/am.2010.3220
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca0.971 H4 O10 Si2 Sr0.029'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8417
_cell_length_b                   8.7904
_cell_length_c                   13.1345
_cell_volume                     674.468
_database_code_amcsd             0018947
_exptl_crystal_density_diffrn    3.108
_cod_original_formula_sum        '(Ca.971 Sr.029) Al2 Si2 O10 H4'
_cod_database_code               9014408
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9014409
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 339,180 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.609 Fe0.388 Mg1.001 O4'
_chemical_name_mineral           Spinel
_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                   8.1482
_cell_length_b                   8.1482
_cell_length_c                   8.1482
_cell_formula_units_Z            8
_cell_volume                     540.985
_database_code_amcsd             0019283
_exptl_crystal_density_diffrn    3.767
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.609 Mg1.001 Fe.388 O4'
_cod_database_code               9014409
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 3.6 GPa Note: assignment of site chemistry does not match chemical analysis
Arletti, R.; Quartieri, S.; Vezzalini, G.; American Mineralogist 95 (2010) 1247–1256; doi:10.2138/am.2010.3482

data_9014410
_publ_section_title
;
 Elastic behavior of zeolite boggsite in silicon oil and aqueous medium:
 A case of high-pressure-induced over hydration,
 Sample: P = 3.6 GPa
 Note: assignment of site chemistry does not match chemical analysis
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1247
_journal_page_last               1256
_journal_paper_doi               10.2138/am.2010.3482
_journal_volume                  95
_journal_year                    2010
_chemical_formula_sum            'Ca3.4 O70.76 Si24'
_chemical_name_mineral           Boggsite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.949
_cell_length_b                   23.445
_cell_length_c                   12.607
_cell_volume                     5896.348
_database_code_amcsd             0017094
_exptl_crystal_density_diffrn    2.188
_cod_original_formula_sum        'Si24 O70.76 Ca3.4'
_cod_database_code               9014410
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 3 in mount
Hazen, R. M.; Finger, L. W.; Journal of Applied Physics 59 (1986) 3728–3733; doi:10.1063/1.336756

data_9014411
_publ_section_title
;
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: Crystal no. 3 in mount
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              3728
_journal_page_last               3733
_journal_paper_doi               10.1063/1.336756
_journal_volume                  59
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Be O'
_chemical_name_mineral           Bromellite
_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                   2.6983
_cell_length_b                   2.6983
_cell_length_c                   4.3776
_cell_formula_units_Z            2
_cell_volume                     27.602
_database_code_amcsd             0019185
_exptl_crystal_density_diffrn    3.009
_cod_database_code               9014411
Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine, Potosi, Bolivia, and its crystal structure
Paar, W. H.; Cooper, M. A.; Moelo, Y.; Stanley, C. J.; Putz, H.; Topa, D.; Roberts, A. C.; Stirling, J.; Raith, J. G.; Rowe, R.; The Canadian Mineralogist 50 (2012) 281–294; doi:10.3749/canmin.50.2.281

data_9014412
_publ_section_title
;
 Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine,
 Potosi, Bolivia, and its crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              281
_journal_page_last               294
_journal_paper_doi               10.3749/canmin.50.2.281
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'El Dragon mine, Potosi, Bolivia'
_chemical_formula_sum            'Bi Cu6 Se6'
_chemical_name_mineral           Eldragonite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.0341
_cell_length_b                   27.056
_cell_length_c                   9.5559
_cell_formula_units_Z            4
_cell_volume                     1042.994
_database_code_amcsd             0019204
_exptl_crystal_density_diffrn    6.776
_cod_original_formula_sum        'Cu6 Bi Se6'
_cod_database_code               9014412