LMucko/crystallography-open-database huggingface dataset:
New ternary transition metal chalcogenides A M2 X2 (A= K, Rb, Cs; M= Co; A= K, M= Ni; X= S, Se): magnetically ordered metals with the ThCr2Si2-type structure
Huan, G.; Greenblatt, M.; Croft, M.; European Journal of Solid State Inorganic Chemistry 26 (1989) 193–220; doi:

data_4031659
_publ_section_title
;
 New ternary transition metal chalcogenides A M2 X2 (A= K, Rb, Cs; M= Co;
 A= K, M= Ni; X= S, Se): magnetically ordered metals with the
 ThCr2Si2-type structure
;
_journal_name_full
'European Journal of Solid State Inorganic Chemistry'
_journal_page_first              193
_journal_page_last               220
_journal_volume                  26
_journal_year                    1989
_chemical_formula_sum            'K Ni2 Se2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.904
_cell_length_b                   3.904
_cell_length_c                   13.443
_cell_volume                     204.888
_citation_journal_id_ASTM        EJSCE5
_cod_data_source_file            Huan_EJSCE5_1989_374.cif
_cod_data_source_block           K1Ni2Se2
_cod_original_cell_volume        204.8877
_cod_original_formula_sum        'K1 Ni2 Se2'
_cod_database_code               4031659
Pressure-induced phase transitions of mercury chalcogenides
Huang Tzuen-Luh; Ruoff, A.L.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 31 (1985) 5976–5982; doi:

data_1538296
_publ_section_title
;
 Pressure-induced phase transitions of mercury chalcogenides
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              5976
_journal_page_last               5982
_journal_volume                  31
_journal_year                    1985
_chemical_formula_sum            'Hg Te'
_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_formula_units_Z            4
_cell_length_a                   5.843
_cell_length_b                   5.843
_cell_length_c                   5.843
_cell_volume                     199.484
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            HuangTzuen-Luh_PRBMDO_1985_159.cif
_cod_data_source_block           Hg1Te1
_cod_original_cell_volume        199.4838
_cod_original_formula_sum        'Hg1 Te1'
_cod_database_code               1538296
New ternary and quaternary metal hydrides with K2 Pt Cl6-type structures
Huang, B.; Bonhomme, F.; Selvam, P.; Fischer, P.; Yvon, K.; Journal of the Less-Common Metals 171 (1991) 301–311; doi:

data_1538297
_publ_section_title
;
 New ternary and quaternary metal hydrides with K2 Pt Cl6-type structures
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              301
_journal_page_last               311
_journal_volume                  171
_journal_year                    1991
_chemical_formula_sum            'Mg2 Os S6'
_chemical_name_systematic        'Mg2 Os D6'
_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_formula_units_Z            4
_cell_length_a                   7.036
_cell_length_b                   7.036
_cell_length_c                   7.036
_cell_volume                     348.319
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Huang_JCOMAH_1991_81.cif
_cod_data_source_block           Mg2Os1S6
_cod_original_cell_volume        348.3192
_cod_original_formula_sum        'Mg2 Os1 S6'
_cod_database_code               1538297
Pressure-induced phase transitions of Hg Te
Huang, T.; Ruoff, A.L.; Physica Status Solidi, Sectio A: Applied Research 77 (1983) K193–K197; doi:

data_1538298
_publ_section_title
;
 Pressure-induced phase transitions of Hg Te
;
_journal_name_full
'Physica Status Solidi, Sectio A: Applied Research'
_journal_page_first              K193
_journal_page_last               K197
_journal_volume                  77
_journal_year                    1983
_chemical_formula_sum            'Hg Te'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.453
_cell_length_b                   6.453
_cell_length_c                   6.453
_cell_volume                     268.711
_citation_journal_id_ASTM        PSSABA
_cod_data_source_file            Huang_PSSABA_1983_160.cif
_cod_data_source_block           Hg1Te1
_cod_original_cell_volume        268.7107
_cod_original_formula_sum        'Hg1 Te1'
_cod_database_code               1538298
The atomic distribution in red and black phosphorus and the crystal structure of black phosphorus
Hubtgren, R.; Gingrich, N.S.; Warren, B.E.; Journal of Chemical Physics 3 (1935) 351–351; doi:

data_1538299
_publ_section_title
;
 The atomic distribution in red and black phosphorus and the crystal
 structure of black phosphorus
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              351
_journal_page_last               351
_journal_volume                  3
_journal_year                    1935
_chemical_formula_sum            P
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   3.316
_cell_length_b                   10.52
_cell_length_c                   4.389
_cell_volume                     153.107
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Hubtgren_JCPSA6_1935_1250.cif
_cod_data_source_block           P1
_cod_original_cell_volume        153.1073
_cod_original_formula_sum        P1
_cod_database_code               1538299
Superconductivity of lanthanum pnictides
Hulliger, F.; Ott, H.R.; Journal of the Less-Common Metals 55 (1977) 103–113; doi:

data_1538300
_publ_section_title
;
 Superconductivity of lanthanum pnictides
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              103
_journal_page_last               113
_journal_volume                  55
_journal_year                    1977
_chemical_formula_sum            'La4 Pb Sb2'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.707
_cell_length_b                   9.707
_cell_length_c                   9.707
_cell_volume                     914.650
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Hulliger_JCOMAH_1977_422.cif
_cod_data_source_block           La4Pb1Sb2
_cod_original_cell_volume        914.6503
_cod_original_formula_sum        'La4 Pb1 Sb2'
_cod_database_code               1538300
Superconductivity of lanthanum pnictides
Hulliger, F.; Ott, H.R.; Journal of the Less-Common Metals 55 (1977) 103–113; doi:

data_1538301
_publ_section_title
;
 Superconductivity of lanthanum pnictides
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              103
_journal_page_last               113
_journal_volume                  55
_journal_year                    1977
_chemical_formula_sum            'La4 Sb2 Sn'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.686
_cell_length_b                   9.686
_cell_length_c                   9.686
_cell_volume                     908.727
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Hulliger_JCOMAH_1977_459.cif
_cod_data_source_block           La4Sb2Sn1
_cod_original_cell_volume        908.7269
_cod_original_formula_sum        'La4 Sb2 Sn1'
_cod_database_code               1538301
Superconductivity of lanthanum pnictides
Hulliger, F.; Ott, H.R.; Journal of the Less-Common Metals 55 (1977) 103–113; doi:

data_1538302
_publ_section_title
;
 Superconductivity of lanthanum pnictides
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              103
_journal_page_last               113
_journal_volume                  55
_journal_year                    1977
_chemical_formula_sum            'La3 Sb3 Y'
_chemical_name_systematic        'La3 Y Sb3'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.553
_cell_length_b                   9.553
_cell_length_c                   9.553
_cell_volume                     871.805
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Hulliger_JCOMAH_1977_460.cif
_cod_data_source_block           La3Sb3Y1
_cod_original_cell_volume        871.8051
_cod_original_formula_sum        'La3 Sb3 Y1'
_cod_database_code               1538302
Low-temperature behavior of Dy S, Dy Se, Ho S and Ho Se
Hulliger, F.; Landolt, M.; Schmelczer, R.; Rare Earths in Modern Science and Technology 3 (1982) 455–458; doi:

data_1538303
_publ_section_title
;
 Low-temperature behavior of Dy S, Dy Se, Ho S and Ho Se
;
_journal_name_full
'Rare Earths in Modern Science and Technology'
_journal_page_first              455
_journal_page_last               458
_journal_volume                  3
_journal_year                    1982
_chemical_formula_sum            'Ho S'
_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_formula_units_Z            4
_cell_length_a                   5.438
_cell_length_b                   5.438
_cell_length_c                   5.438
_cell_volume                     160.812
_citation_journal_id_ASTM        REMTDV
_cod_data_source_file            Hulliger_REMTDV_1982_207.cif
_cod_data_source_block           Ho1S1
_cod_original_cell_volume        160.8117
_cod_original_formula_sum        'Ho1 S1'
_cod_database_code               1538303
Low-temperature behavior of Dy S, Dy Se, Ho S and Ho Se
Hulliger, F.; Schmelczer, R.; Landolt, M.; Rare Earths in Modern Science and Technology 3 (1982) 455–458; doi:

data_1538304
_publ_section_title
;
 Low-temperature behavior of Dy S, Dy Se, Ho S and Ho Se
;
_journal_name_full
'Rare Earths in Modern Science and Technology'
_journal_page_first              455
_journal_page_last               458
_journal_volume                  3
_journal_year                    1982
_chemical_formula_sum            'Ho Se'
_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_formula_units_Z            4
_cell_length_a                   5.666
_cell_length_b                   5.666
_cell_length_c                   5.666
_cell_volume                     181.899
_citation_journal_id_ASTM        REMTDV
_cod_data_source_file            Hulliger_REMTDV_1982_211.cif
_cod_data_source_block           Ho1Se1
_cod_original_cell_volume        181.8987
_cod_original_formula_sum        'Ho1 Se1'
_cod_database_code               1538304
A constitution diagram for the niobium-ruthenium system above 1100 degree
Hurley, G.F.; Brophy, J.H.; Journal of the Less-Common Metals 7 (1964) 267–277; doi:

data_1538305
_publ_section_title
;
 A constitution diagram for the niobium-ruthenium system above 1100 degree
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              267
_journal_page_last               277
_journal_volume                  7
_journal_year                    1964
_chemical_formula_sum            'Nb1.3 Ru0.7'
_chemical_name_systematic        '(Nb13 Ru7)0.1'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.188
_cell_length_b                   3.188
_cell_length_c                   3.188
_cell_volume                     32.401
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Hurley_JCOMAH_1964_839.cif
_cod_data_source_block           Nb1.3Ru0.7
_cod_original_cell_volume        32.40074
_cod_database_code               1538305
A constitution diagram for the niobium-ruthenium system above 1100 degree
Hurley, G.F.; Brophy, J.H.; Journal of the Less-Common Metals 7 (1964) 267–277; doi:

data_1538306
_publ_section_title
;
 A constitution diagram for the niobium-ruthenium system above 1100 degree
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              267
_journal_page_last               277
_journal_volume                  7
_journal_year                    1964
_chemical_formula_sum            'Nb0.6 Ru1.4'
_chemical_name_systematic        '(Nb3 Ru7)0.2'
_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            1
_cell_length_a                   2.762
_cell_length_b                   2.762
_cell_length_c                   4.432
_cell_volume                     29.280
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Hurley_JCOMAH_1964_840.cif
_cod_data_source_block           Nb0.6Ru1.4
_cod_original_cell_volume        29.28045
_cod_database_code               1538306
A constitution diagram for the niobium-ruthenium system above 1100 degree
Hurley, G.F.; Brophy, J.H.; Journal of the Less-Common Metals 7 (1964) 267–277; doi:

data_1538307
_publ_section_title
;
 A constitution diagram for the niobium-ruthenium system above 1100 degree
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              267
_journal_page_last               277
_journal_volume                  7
_journal_year                    1964
_chemical_formula_sum            'Nb Ru'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.003
_cell_length_b                   3.003
_cell_length_c                   3.368
_cell_volume                     30.373
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Hurley_JCOMAH_1964_841.cif
_cod_data_source_block           Nb1Ru1
_cod_original_cell_volume        30.37266
_cod_original_formula_sum        'Nb1 Ru1'
_cod_database_code               1538307
The crystal structure of Ce O S O4 H2 O
Lundgren, G.; Arkiv foer Kemi 6 (1953) 59–75; doi:

data_1538308
_publ_section_title
;
 The crystal structure of Ce O S O4 H2 O
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              59
_journal_page_last               75
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'Ce H2 O6 S'
_chemical_name_systematic        'Ce O S O4 H2 O'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.983
_cell_length_b                   8.267
_cell_length_c                   4.332
_cell_volume                     429.143
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Lundgren_ARKEAD_1953_242.cif
_cod_data_source_block           H2Ce1O6S1
_cod_original_cell_volume        429.1429
_cod_original_formula_sum        'H2 Ce1 O6 S1'
_cod_database_code               1538308
Diammonium Copper Bis(selenate) Hexahydrate
Monge, A.; Gutierrez-Puebla, E.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 427–429; doi:

data_2107073
_publ_section_title
;
 Diammonium Copper Bis(selenate) Hexahydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              427
_journal_page_last               429
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Cu H20 N2 O14 Se2'
_chemical_name_systematic        '(N H4)2 Cu (Se O4)2 (H2 O)6'
_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                 105.62
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.424
_cell_length_b                   12.547
_cell_length_c                   9.351
_cell_volume                     725.873
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Monge_ACBCAR_1981_1252.cif
_cod_data_source_block           H20Cu1N2O14Se2
_cod_original_cell_volume        725.8731
_cod_original_formula_sum        'H20 Cu1 N2 O14 Se2'
_cod_database_code               2107073
On the crystal structure of Ti O S O4 H2 O
Lundgren, G.; Arkiv foer Kemi 10 (1956) 397–413; doi:

data_1538309
_publ_section_title
;
 On the crystal structure of Ti O S O4 H2 O
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              397
_journal_page_last               413
_journal_volume                  10
_journal_year                    1956
_chemical_formula_sum            'H2 O6 S Ti'
_chemical_name_systematic        '(Ti O) (S O4) (H2 O)'
_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                   9.788
_cell_length_b                   5.12
_cell_length_c                   8.598
_cell_volume                     430.885
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Lundgren_ARKEAD_1956_254.cif
_cod_data_source_block           H2O6S1Ti1
_cod_original_cell_volume        430.8849
_cod_original_formula_sum        'H2 O6 S1 Ti1'
_cod_database_code               1538309
An X-ray diffraction study of tetragonal U S2
Mooney-Slater, R.C.L.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 120 (1964) 278–285; doi:

data_8104252
_publ_section_title
;
 An X-ray diffraction study of tetragonal U S2
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              278
_journal_page_last               285
_journal_volume                  120
_journal_year                    1964
_chemical_formula_sum            'S2 U'
_chemical_name_systematic        'U S2'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   10.28
_cell_length_b                   10.28
_cell_length_c                   6.327
_cell_volume                     668.627
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Mooney-Slater_ZEKGAX_1964_1536.cif
_cod_data_source_block           S2U1
_cod_original_cell_volume        668.6272
_cod_original_formula_sum        'S2 U1'
_cod_database_code               8104252
The crystal structure of Ce6 O4 (O H)4 (S O4)6
Lundgren, G.; Arkiv foer Kemi 10 (1957) 183–197; doi:

data_1538310
_publ_section_title
;
 The crystal structure of Ce6 O4 (O H)4 (S O4)6
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              183
_journal_page_last               197
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'Ce3 H2 O16 S3'
_chemical_name_systematic        'Ce3 (S O4)3 (O H)2 O2'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.661
_cell_length_b                   10.661
_cell_length_c                   10.288
_cell_volume                     1169.302
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Lundgren_ARKEAD_1957_253.cif
_cod_data_source_block           H4Ce6O32S6
_cod_depositor_comments
;

2017-08-30
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_units_Z            2
_cod_original_formula_sum        'H4 Ce6 O32 S6'
_cod_database_code               1538310
Pinakiolite, Mg2 Mn(III) O2 B O3, warwickite, Mg (Mg.5 Ti.5) O (B O3), wightmanite, Mg5 (O) (O H)5 (B O3) * (H2 O)n: Crystal chemistry of complex 3 Angstroem wallpaper structures
Moore, P.B.; Araki, T.; American Mineralogist 59 (1974) 985–1004; doi:

data_1538311
_publ_section_title
;
 Pinakiolite, Mg2 Mn(III) O2 B O3, warwickite, Mg (Mg.5 Ti.5) O (B O3),
 wightmanite, Mg5 (O) (O H)5 (B O3) * (H2 O)n: Crystal chemistry of
 complex 3 Angstroem wallpaper structures
;
_journal_name_full               'American Mineralogist'
_journal_page_first              985
_journal_page_last               1004
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Al0.21 B Fe0.12 Mg1.33 O4 Ti0.34'
_chemical_name_systematic        'Mg1.33 Al0.21 Fe0.12 Ti0.34 O (B O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.197
_cell_length_b                   9.358
_cell_length_c                   3.085
_cell_volume                     265.512
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Moore_AMMIAY_1974_384.cif
_cod_data_source_block           Al0.21B1Fe0.12Mg1.33O4Ti0.34
_cod_original_cell_volume        265.5121
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Al0.21 B1 Fe0.12 Mg1.33 O4 Ti0.34'
_cod_database_code               1538311