LMucko/crystallography-open-database huggingface dataset:
Crystal structure of almeidaite, a new mineral of the crichtonite group
Kastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Menezes, L. A. D.; Doklady Chemistry 455 (2014) 53–57; doi:

data_9017461
_publ_section_title
;
 Crystal structure of almeidaite, a new mineral of the crichtonite group
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              53
_journal_page_last               57
_journal_volume                  455
_journal_year                    2014
_chemical_compound_source        'Novo Horizonte, Bahia, Brazil'
_chemical_formula_sum
'Fe4.9 H0.82 Mn0.8 O38 Pb0.6 Sr0.1 Ti13.4 Y0.4 Zn1.5'
_chemical_name_mineral           Almeidaite
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.4359
_cell_length_b                   10.4359
_cell_length_c                   21.0471
_cell_volume                     1985.101
_database_code_amcsd             0020510
_exptl_crystal_density_diffrn    4.604
_cod_data_source_file            inputs/fixed/downloads/15/15041.cif
_cod_data_source_block           15041
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum
'Pb.6 Sr.1 Mn.8 Y.4 Zn1.5 Fe4.9 Ti13.4 O38 H.82'
_cod_database_code               9017461
Hydroxymanganopyrochlore: A new mineral from the Eifel volcanic region, Germany
Chukanov, N. V.; Blass, G.; Zubkova, N. V.; Pekov, I. V.; Pushcharovskii, D. Y.; Prinz, H.; Doklady Earth Sciences 449 (2013) 342–345; doi:

data_9017462
_publ_section_title
;
 Hydroxymanganopyrochlore: A new mineral from the Eifel volcanic region, Germany
;
_journal_name_full               'Doklady Earth Sciences'
_journal_page_first              342
_journal_page_last               345
_journal_volume                  449
_journal_year                    2013
_chemical_compound_source        'Eifel volcanic region, Germany'
_chemical_formula_sum
'Ca0.29 Ce0.18 F0.11 Fe0.19 H0.65 La0.09 Mn0.51 Na0.35 Nb0.97 Nd0.02 O6.89 Th0.37 Ti0.85 U0.04'
_chemical_name_mineral           Hydroxymanganopyrochlore
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   10.2523
_cell_length_b                   10.2523
_cell_length_c                   10.2523
_cell_volume                     1077.616
_database_code_amcsd             0020052
_exptl_crystal_density_diffrn    5.400
_cod_data_source_file            inputs/fixed/downloads/15/15047.cif
_cod_data_source_block           15047
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum
'Mn.51 Th.37 Na.35 Ca.29 Ce.18 La.09 Nd.02 U.04 Nb.97 Ti.85 Fe.19 O6.89 F.11 H.65'
_cod_database_code               9017462
_cell_formula_units_Z 8
Refinement of the crystal structure of fornacite using the Rietveld method
Ksenofontov, D. A.; Kabalov, Y. K.; Pekov, I. V.; Zubkova, N. V.; Ekimenkova, I. A.; Pushcharovskii, D. Y.; Doklady Earth Sciences 456 (2014) 520–523; doi:

data_9017463
_publ_section_title
;
 Refinement of the crystal structure of fornacite using the Rietveld method
;
_journal_name_full               'Doklady Earth Sciences'
_journal_page_first              520
_journal_page_last               523
_journal_volume                  456
_journal_year                    2014
_chemical_compound_source        'Berezovskii deposit, Central Urals, Russia'
_chemical_formula_sum            'As0.79 Cr Cu H O9 P0.21 Pb2'
_chemical_name_mineral           Fornacite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.09015
_cell_length_b                   5.90913
_cell_length_c                   17.4839
_cell_volume                     785.474
_database_code_amcsd             0020506
_exptl_crystal_density_diffrn    6.263
_cod_data_source_file            inputs/fixed/downloads/15/15048.cif
_cod_data_source_block           15048
_cod_original_formula_sum        'Pb2 Cu (As.79 P.21) Cr O9 H'
_cod_database_code               9017463
Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7
Chen, Y.; Zhang, Y.; Feng, S.; Dyes and Pigments 105 (2014) 167–173; doi:

data_9017464
_publ_section_title
;
 Hydrothermal synthesis and properties of pigments
 Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7
;
_journal_name_full               'Dyes and Pigments'
_journal_page_first              167
_journal_page_last               173
_journal_volume                  105
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Cu O6 Si2'
_chemical_name_mineral           Colinowensite
_space_group_IT_number           142
_space_group_name_Hall           '-I 4bd 2c'
_space_group_name_H-M_alt        'I 41/a c d :2'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.97511
_cell_length_b                   9.97511
_cell_length_c                   22.2887
_cell_formula_units_Z            16
_cell_volume                     2217.788
_database_code_amcsd             0020059
_exptl_crystal_density_diffrn    4.229
_cod_data_source_file            inputs/fixed/downloads/15/15051.cif
_cod_data_source_block           15051
_cod_original_cell_volume        2217.789
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Ba Cu Si2 O6'
_cod_database_code               9017464
Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7
Chen, Y.; Zhang, Y.; Feng, S.; Dyes and Pigments 105 (2014) 167–173; doi:

data_9017465
_publ_section_title
;
 Hydrothermal synthesis and properties of pigments
 Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7
;
_journal_name_full               'Dyes and Pigments'
_journal_page_first              167
_journal_page_last               173
_journal_volume                  105
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Cu2 O7 Si2'
_chemical_name_mineral           Scottyite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.86317
_cell_length_b                   13.1773
_cell_length_c                   6.86317
_cell_formula_units_Z            4
_cell_volume                     620.692
_database_code_amcsd             0020060
_exptl_crystal_density_diffrn    4.629
_cod_data_source_file            inputs/fixed/downloads/15/15052.cif
_cod_data_source_block           15052
_cod_original_formula_sum        'Ba Cu2 Si2 O7'
_cod_database_code               9017465
An X-ray diffraction study of the electron-density distribution and electrostatic potential in phenakite Be2SiO4
Tsirelson, V. G.; Sokolova, Y. V.; Urusov, V. S.; Geochemistry International 24 (1987) 101–110; doi:

data_9017466
_publ_section_title
;
 An X-ray diffraction study of the electron-density distribution and
 electrostatic potential in phenakite Be2SiO4
;
_journal_name_full               'Geochemistry International'
_journal_page_first              101
_journal_page_last               110
_journal_volume                  24
_journal_year                    1987
_chemical_compound_source        'natural crystal from unreported locality'
_chemical_formula_sum            'Be2 O4 Si'
_chemical_name_mineral           Phenakite
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.485
_cell_length_b                   12.485
_cell_length_c                   8.264
_cell_formula_units_Z            18
_cell_volume                     1115.573
_database_code_amcsd             0020478
_exptl_crystal_density_diffrn    2.950
_cod_data_source_file            inputs/fixed/downloads/15/15211.cif
_cod_data_source_block           15211
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Be2 Si O4'
_cod_database_code               9017466
Ferroindialite (Fe2+,Mg)2Al4Si5O18, a new beryl-group mineral from the Eifel volcanic region, Germany
Chukanov, N. V.; Aksenov, S. M.; Pekov, I. V.; Ternes, B.; Schuller, W.; Belakovskiy, D. I.; Van, K. V.; Blass, G.; Geology of Ore Deposits 56 (2014) 637–643; doi:

data_9017467
_publ_section_title
;
 Ferroindialite (Fe2+,Mg)2Al4Si5O18, a new beryl-group mineral from the Eifel
 volcanic region, Germany
;
_journal_name_full               'Geology of Ore Deposits'
_journal_page_first              637
_journal_page_last               643
_journal_volume                  56
_journal_year                    2014
_chemical_compound_source
'Caspar basalt quarry, Eifel volcanic district, Germany'
_chemical_formula_sum            'Al3.82 Fe1.39 K0.06 Mg0.85 Na0.03 O18 Si4.94'
_chemical_name_mineral           Ferroindialite
_space_group_IT_number           192
_space_group_name_Hall           '-P 6 2c'
_space_group_name_H-M_alt        'P 6/m c c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.8759
_cell_length_b                   9.8759
_cell_length_c                   9.3102
_cell_formula_units_Z            2
_cell_volume                     786.399
_database_code_amcsd             0020462
_exptl_crystal_density_diffrn    2.665
_cod_data_source_file            inputs/fixed/downloads/15/15214.cif
_cod_data_source_block           15214
_cod_original_formula_sum        'K.06 Na.03 Fe1.39 Mg.85 Al3.82 Si4.94 O18'
_cod_database_code               9017467
Zvyaginite, NaZnNb2Ti[Si2O7]2O(OH,F)3(H2O)4+x(x<1), a new mineral of the epistolite group from the Lovozero alkaline pluton, Kola Peninsula, Russia
Pekov, I. V.; Lykova, I. S.; Chukanov, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Zolotarev, A. A.; Zubkova, N. V.; Geology of Ore Deposits 56 (2014) 644–656; doi:

data_9017468
_publ_section_title
;
 Zvyaginite, NaZnNb2Ti[Si2O7]2O(OH,F)3(H2O)4+x(x<1), a new mineral of the epistolite
 group from the Lovozero alkaline pluton, Kola Peninsula, Russia
;
_journal_name_full               'Geology of Ore Deposits'
_journal_page_first              644
_journal_page_last               656
_journal_volume                  56
_journal_year                    2014
_chemical_compound_source
'Mt. Malyi Punkaruaiv, Lovozero alkaline complex, Kola Peninsula, Russia'
_chemical_formula_sum            'H11 Na1.43 Nb1.56 O22 Si4 Ti1.395 Zn1.2'
_chemical_name_mineral           Zvyaginite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.328
_cell_angle_beta                 80.651
_cell_angle_gamma                73.959
_cell_formula_units_Z            2
_cell_length_a                   8.975
_cell_length_b                   8.979
_cell_length_c                   12.135
_cell_volume                     900.819
_database_code_amcsd             0020443
_exptl_crystal_density_diffrn    2.944
_cod_data_source_file            inputs/fixed/downloads/15/15215.cif
_cod_data_source_block           15215
_cod_original_formula_sum        'Nb1.56 Ti1.395 Zn1.2 Na1.43 Si4 O22 H11'
_cod_database_code               9017468
Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 38.6 GPa
Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B.; Geophysical Research Letters 39 (2012) L24307–4; doi:

data_9017469
_publ_section_title
;
 Beta-diopside, a new ultrahigh-pressure polymorph of
 CaMgSi2O6 with six-coordinated silicon
 Note: P = 38.6 GPa
;
_journal_name_full               'Geophysical Research Letters'
_journal_page_first              L24307
_journal_page_last               4
_journal_volume                  39
_journal_year                    2012
_chemical_compound_source        'natural, not reported'
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.592
_cell_angle_gamma                90
_cell_length_a                   9.234
_cell_length_b                   8.255
_cell_length_c                   4.959
_cell_formula_units_Z            4
_cell_volume                     365.815
_database_code_amcsd             0020130
_diffrn_ambient_pressure         3.86e+07
_exptl_crystal_density_diffrn    3.932
_cod_data_source_file            inputs/fixed/downloads/15/15216.cif
_cod_data_source_block           15216
_cod_original_formula_sum        'Ca Mg Si2 O6'
_cod_database_code               9017469
Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 56.1 GPa
Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B.; Geophysical Research Letters 39 (2012) L24307–4; doi:

data_9017470
_publ_section_title
;
 Beta-diopside, a new ultrahigh-pressure polymorph of
 CaMgSi2O6 with six-coordinated silicon
 Note: P = 56.1 GPa
;
_journal_name_full               'Geophysical Research Letters'
_journal_page_first              L24307
_journal_page_last               4
_journal_volume                  39
_journal_year                    2012
_chemical_compound_source        'synthesize from natural sample'
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Beta-diopside
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.34
_cell_angle_gamma                90
_cell_length_a                   9.053
_cell_length_b                   7.677
_cell_length_c                   4.751
_cell_formula_units_Z            4
_cell_volume                     328.175
_database_code_amcsd             0020131
_diffrn_ambient_pressure         5.61e+07
_exptl_crystal_density_diffrn    4.383
_cod_data_source_file            inputs/fixed/downloads/15/15217.cif
_cod_data_source_block           15217
_cod_original_cell_volume        328.174
_cod_original_formula_sum        'Ca Mg Si2 O6'
_cod_database_code               9017470
High pressure synthesis and investigation of single crystals of metastable boron phases Note: alpha-tetragonal phase
Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L.; High Pressure Research 33 (2013) 673–683; doi:

data_9017471
_publ_section_title
;
 High pressure synthesis and investigation of single crystals
 of metastable boron phases
 Note: alpha-tetragonal phase
;
_journal_name_full               'High Pressure Research'
_journal_page_first              673
_journal_page_last               683
_journal_volume                  33
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            B
_chemical_name_mineral           Boron
_space_group_IT_number           134
_space_group_name_Hall           'P 4n 2 -1n'
_space_group_name_H-M_alt        'P 42/n n m :1'
_symmetry_space_group_name_H-M   'P 42/n n m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.708
_cell_length_b                   8.708
_cell_length_c                   5.0750
_cell_formula_units_Z            50
_cell_volume                     384.834
_database_code_amcsd             0020599
_exptl_crystal_density_diffrn    2.332
_cod_data_source_file            inputs/fixed/downloads/15/15218.cif
_cod_data_source_block           15218
_cod_depositor_comments
;

2024-06-04
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            B25
_cod_original_formula_units_Z            2
_cod_original_sg_symbol_H-M      'P 42/n n m'
_cod_database_code               9017471
High pressure synthesis and investigation of single crystals of metastable boron phases Note: epsilon-trigonal phase
Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L.; High Pressure Research 33 (2013) 673–683; doi:

data_9017472
_publ_section_title
;
 High pressure synthesis and investigation of single crystals
 of metastable boron phases
 Note: epsilon-trigonal phase
;
_journal_name_full               'High Pressure Research'
_journal_page_first              673
_journal_page_last               683
_journal_volume                  33
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            B
_chemical_name_mineral           Boron
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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                   5.5940
_cell_length_b                   5.5940
_cell_length_c                   12.0756
_cell_formula_units_Z            45
_cell_volume                     327.253
_database_code_amcsd             0020600
_exptl_crystal_density_diffrn    2.469
_cod_data_source_file            inputs/fixed/downloads/15/15219.cif
_cod_data_source_block           15219
_cod_depositor_comments
;

2024-06-04
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            B5
_cod_original_formula_units_Z            9
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9017472
Experimental crystal structure determination
Mereiter, K.; ICSD Communications 2018 (2018) –; doi:10.25505/fiz.icsd.cc20vqsd

data_9017473
_publ_section_title
;
 Experimental crystal structure determination
;
_journal_name_full               'ICSD Communications'
_journal_paper_doi               10.25505/fiz.icsd.cc20vqsd
_journal_volume                  2018
_journal_year                    2018
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 H28 O30 S4'
_chemical_name_mineral           Romerite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.855
_cell_angle_beta                 89.828
_cell_angle_gamma                79.065
_cell_length_a                   6.3190
_cell_length_b                   6.4521
_cell_length_c                   15.3158
_cell_formula_units_Z            1
_cell_volume                     611.460
_database_code_amcsd             0020887
_exptl_crystal_density_diffrn    2.183
_cod_data_source_file            inputs/fixed/downloads/15/15220.cif
_cod_data_source_block           15220
_cod_original_cell_volume        611.459
_cod_original_formula_sum        'Fe3 S4 O30 H28'
_cod_database_code               9017473
Experimental crystal structure determination Note: T = 296 K
Mereiter, K.; ICSD Communications 2018 (2018) –; doi:10.25505/fiz.icsd.cc20vqtf

data_9017474
_publ_section_title
;
 Experimental crystal structure determination
 Note: T = 296 K
;
_journal_name_full               'ICSD Communications'
_journal_paper_doi               10.25505/fiz.icsd.cc20vqtf
_journal_volume                  2018
_journal_year                    2018
_chemical_compound_source        'Tierra Amarilla, Chile'
_chemical_formula_sum            'Fe H7 O8 S'
_chemical_name_mineral           Amarantite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.260
_cell_angle_beta                 95.634
_cell_angle_gamma                90.383
_cell_length_a                   6.6548
_cell_length_b                   8.9204
_cell_length_c                   11.6053
_cell_formula_units_Z            4
_cell_volume                     679.979
_database_code_amcsd             0020886
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    2.178
_cod_data_source_file            inputs/fixed/downloads/15/15221.cif
_cod_data_source_block           15221
_cod_original_formula_sum        'Fe S O8 H7'
_cod_database_code               9017474
Experimental crystal structure determination Note: T = 100 K
Mereiter, K.; ICSD Communications 2018 (2018) –; doi:10.25505/fiz.icsd.cc20vqvg

data_9017475
_publ_section_title
;
 Experimental crystal structure determination
 Note: T = 100 K
;
_journal_name_full               'ICSD Communications'
_journal_paper_doi               10.25505/fiz.icsd.cc20vqvg
_journal_volume                  2018
_journal_year                    2018
_chemical_compound_source        'Tierra Amarilla, Chile'
_chemical_formula_sum            'Fe H7 O8 S'
_chemical_name_mineral           Amarantite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.564
_cell_angle_beta                 95.709
_cell_angle_gamma                90.355
_cell_length_a                   6.6278
_cell_length_b                   8.8605
_cell_length_c                   11.5790
_cell_formula_units_Z            4
_cell_volume                     670.595
_database_code_amcsd             0020885
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    2.208
_cod_data_source_file            inputs/fixed/downloads/15/15222.cif
_cod_data_source_block           15222
_cod_original_cell_volume        670.596
_cod_original_formula_sum        'Fe S O8 H7'
_cod_database_code               9017475
Experimental crystal structure determination
Mereiter, K.; ICSD Communications 2020 (2020) –; doi:10.25505/fiz.icsd.cc25lg8j

data_9017476
_publ_section_title
;
 Experimental crystal structure determination
;
_journal_name_full               'ICSD Communications'
_journal_paper_doi               10.25505/fiz.icsd.cc25lg8j
_journal_volume                  2020
_journal_year                    2020
_chemical_compound_source        'Tierra Amarilla, Chile'
_chemical_formula_sum            'Fe2 H22 O23 S3'
_chemical_name_mineral           Quenstedtite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.140
_cell_angle_beta                 101.680
_cell_angle_gamma                96.350
_cell_length_a                   6.1800
_cell_length_b                   23.583
_cell_length_c                   6.5400
_cell_formula_units_Z            2
_cell_volume                     923.305
_database_code_amcsd             0020888
_exptl_crystal_density_diffrn    2.151
_cod_data_source_file            inputs/fixed/downloads/15/15223.cif
_cod_data_source_block           15223
_cod_original_formula_sum        'Fe2 S3 O23 H22'
_cod_database_code               9017476