LMucko/crystallography-open-database huggingface dataset:
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1 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_9014114
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 1 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            'Al1.461 Fe0.539 Mg 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                   8.1699
_cell_length_b                   8.1699
_cell_length_c                   8.1699
_cell_formula_units_Z            8
_cell_volume                     545.318
_database_code_amcsd             0019337
_exptl_crystal_density_diffrn    3.845
_cod_original_cell_volume        545.319
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.461 Mg Fe.539) O4'
_cod_database_code               9014114
Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia), with descriptions of the crystal structures of arisite-(La) and arisite-(Ce) Note: x-coordinate of O1 adjusted to special position
Piilonen, P. C.; McDonald, A. M.; Grice, J. D.; Cooper, M. A.; Kolitsch, U.; Rowe, R.; Gault, R. A.; Poirier, G.; Mineralogical Magazine 74 (2010) 257–268; doi:10.1180/minmag.2010.074.2.257

data_9014115
_publ_section_title
;
 Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
 with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
 Note: x-coordinate of O1 adjusted to special position
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              257
_journal_page_last               268
_journal_paper_doi               10.1180/minmag.2010.074.2.257
_journal_volume                  74
_journal_year                    2010
_chemical_compound_source        'Aris, Namibia'
_chemical_formula_sum
'C2.63 Ca0.14 Ce0.84 F1.72 La0.9 Na Nd0.08 O7.89 Pr0.02 Sm0.02'
_chemical_name_mineral           Arisite-(La)
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.1131
_cell_length_b                   5.1131
_cell_length_c                   8.6759
_cell_formula_units_Z            1
_cell_volume                     196.433
_database_code_amcsd             0014599
_exptl_crystal_density_diffrn    4.051
_cod_original_formula_sum
'Na (La.9 Ce.84 Nd.08 Pr.02 Sm.02 Ca.14) C2.63 O7.89 F1.72'
_cod_database_code               9014115
Nioboaeschynite-(Ce), Ce(NbTi)O6
Morrison, S. M.; Downs, R. T.; Domanik, K. J.; Yang, H.; Doell, D.; Acta Crystallographica, Section E 68 (2012) i64–i65; doi:10.1107/S1600536812031765

data_9014116
_publ_section_title
;
 Nioboaeschynite-(Ce), Ce(NbTi)O6
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i64
_journal_page_last               i65
_journal_paper_doi               10.1107/S1600536812031765
_journal_volume                  68
_journal_year                    2012
_chemical_compound_source
'Upper Fir carbonatite, Kamloops mining division, British Columbia, Canada'
_chemical_formula_sum
'Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02'
_chemical_name_mineral           Nioboaeschynite-(Ce)
_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                   11.0563
_cell_length_b                   7.560
_cell_length_c                   5.3637
_cell_volume                     448.328
_database_code_amcsd             0019173
_exptl_crystal_density_diffrn    5.440
_cod_original_formula_sum
'Ce.348 Nd.14 La.12 Pr.04 Sm.02 Y.02 Gd.01 Th.06 Fe.03 Sr.01 Ca.25 (Nb1.14 Ti.86) O6'
_cod_database_code               9014116
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.00010(1) GPa
Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.; American Mineralogist 97 (2012) 1741–1748; doi:10.2138/am.2012.4157

data_9014117
_publ_section_title
;
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 0.00010(1) GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1741
_journal_page_last               1748
_journal_paper_doi               10.2138/am.2012.4157
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.210
_cell_length_b                   8.820
_cell_length_c                   5.1767
_cell_formula_units_Z            16
_cell_volume                     831.441
_database_code_amcsd             0019515
_exptl_crystal_density_diffrn    3.208
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9014117
The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures
Sakowski-Cowley A C; Lukaszewicz, K.; Megaw, H. D.; Acta Crystallographica, Section B 25 (1969) 851–865; doi:10.1107/S0567740869003141

data_9014118
_publ_section_title
;
 The structure of sodium niobate at room temperature,
 and the problem of reliability in pseudosymmetric structures
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              851
_journal_page_last               865
_journal_paper_doi               10.1107/S0567740869003141
_journal_volume                  25
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na Nb O3'
_chemical_name_mineral           Lueshite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2a 2ab'
_symmetry_space_group_name_H-M   'P b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.566
_cell_length_b                   15.520
_cell_length_c                   5.506
_cell_formula_units_Z            8
_cell_volume                     475.632
_database_code_amcsd             0018684
_exptl_crystal_density_diffrn    4.578
_cod_database_code               9014118
Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO Note: T = 9 K
Brese, N. E.; O'Keeffe M; Ramakrishna, B. L.; von Dreele, R. B.; Journal of Solid State Chemistry 89 (1990) 184–190; doi:10.1016/0022-4596(90)90310-T

data_9014119
_publ_section_title
;
 Low-temperature structures of CuO and AgO and their
 relationships to those of MgO and PdO
 Note: T = 9 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              184
_journal_page_last               190
_journal_paper_doi               10.1016/0022-4596(90)90310-T
_journal_volume                  89
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag O'
_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                 107.663
_cell_angle_gamma                90
_cell_length_a                   5.8517
_cell_length_b                   3.4674
_cell_length_c                   5.4838
_cell_formula_units_Z            4
_cell_volume                     106.022
_database_code_amcsd             0018807
_exptl_crystal_density_diffrn    7.760
_cod_database_code               9014119
_amcsd_formula_title             AgO
_cod_duplicate_entry 1509688
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 1 in air
Hazen, R. M.; Finger, L. W.; Journal of Applied Physics 59 (1986) 3728–3733; doi:10.1063/1.336756

data_9014120
_publ_section_title
;
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: Crystal no. 1 in air
;
_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             0019176
_exptl_crystal_density_diffrn    3.009
_cod_database_code               9014120
Neutron diffraction in Ti1.2 Mn1.8 deuteride. Structural and magnetic aspects _cod_database_code 1008273
Fruchart, D.; Soubeyroux, J.; Hempelmann, R.; Journal of the Less-Common Metals 99 (1984) 307–319; doi:10.1016/0022-5088(84)90229-7

data_9014121
_publ_section_title
;
 Neutron diffraction in Ti1.2 Mn1.8 deuteride. Structural and
 magnetic aspects
 _cod_database_code 1008273
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              307
_journal_page_last               319
_journal_paper_doi               10.1016/0022-5088(84)90229-7
_journal_volume                  99
_journal_year                    1984
_chemical_formula_sum            'D6 Mn3.6 Ti2.4'
_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_length_a                   5.257
_cell_length_b                   5.257
_cell_length_c                   8.576
_cell_formula_units_Z            2
_cell_volume                     205.254
_database_code_amcsd             0016195
_exptl_crystal_density_diffrn    5.255
_cod_duplicate_entry             1008273
_cod_original_formula_sum        'Ti2.4 Mn3.6 D6'
_cod_database_code               9014121
_amcsd_formula_title             'D3 Mn1.8 Ti1.2'
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .58, Nd.09Na1.74Nb2O6
Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.; Inorganic Materials 40 (2004) 1324–1330; doi:10.1007/s10789-005-0019-y

data_9014122
_publ_section_title
;
 Structural and dielectric properties of solid solutions of
 sodium niobate in lanthanum and neodymium niobates
 Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C
 Note: x = .58, Nd.09Na1.74Nb2O6
;
_journal_name_full               'Inorganic Materials'
_journal_page_first              1324
_journal_page_last               1330
_journal_paper_doi               10.1007/s10789-005-0019-y
_journal_volume                  40
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na1.74 Nb2 Nd0.09 O6'
_chemical_name_mineral           Lueshite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5100
_cell_length_b                   5.5563
_cell_length_c                   15.5670
_cell_formula_units_Z            4
_cell_volume                     476.587
_database_code_amcsd             0018682
_exptl_crystal_density_diffrn    4.666
_cod_original_formula_sum        'Nd.09 Na1.74 Nb2 O6'
_cod_database_code               9014122
D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles
Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M.; Mineralogical Magazine 76 (2012) 2773–2783; doi:10.1180/minmag.2012.076.7.10

data_9014123
_publ_section_title
;
 D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
 two new minerals from volcanic fumaroles
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2773
_journal_page_last               2783
_journal_paper_doi               10.1180/minmag.2012.076.7.10
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Vesuvius, Naples, Italy'
_chemical_formula_sum            'Cl3 Mn0.508 Na21.492 O40 S10'
_chemical_name_mineral           Dansite-(Mn)
_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_length_a                   15.9291
_cell_length_b                   15.9291
_cell_length_c                   15.9291
_cell_formula_units_Z            4
_cell_volume                     4041.790
_database_code_amcsd             0019747
_exptl_crystal_density_diffrn    2.611
_cod_original_formula_sum        'Na21.492 Mn.508 S10 O40 Cl3'
_cod_database_code               9014123
Cupromakopavonite, Cu8Ag3Pb4Bi19S38, a new mineral species, its crystal structure and the cupropavonite homologous series
Topa, D.; Makovicky, E.; Ilinca, G.; Dittrich, H.; The Canadian Mineralogist 50 (2012) 295–312; doi:10.3749/canmin.50.2.295

data_9014124
_publ_section_title
;
 Cupromakopavonite, Cu8Ag3Pb4Bi19S38, a new mineral species, its crystal
 structure and the cupropavonite homologous series
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              295
_journal_page_last               312
_journal_paper_doi               10.3749/canmin.50.2.295
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'the scheelite deposit Felbertal, Salzburg Province, Austria'
_chemical_formula_sum            'Ag1.621 Bi9.379 Cu4 Pb2 S19'
_chemical_name_mineral           Cupromakopavonite
_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                 93.064
_cell_angle_gamma                90
_cell_length_a                   13.3801
_cell_length_b                   4.0007
_cell_length_c                   31.083
_cell_formula_units_Z            2
_cell_volume                     1661.487
_database_code_amcsd             0019215
_exptl_crystal_density_diffrn    6.822
_cod_original_formula_sum        'Cu4 Ag1.621 Pb2 Bi9.379 S19'
_cod_database_code               9014124
Structure cristalline du tripolyphosphate de zinc heptadecahydrate: Zn5(P3O10)2(H2O)17
Averbuch-Pouchot M; Durif, A.; Guitel, J.; Acta Crystallographica, Section B 31 (1975) 2482–2486; doi:10.1107/S0567740875007832

data_9014125
_publ_section_title
;
 Structure cristalline du tripolyphosphate de zinc heptadecahydrate:
 Zn5(P3O10)2(H2O)17
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2482
_journal_page_last               2486
_journal_paper_doi               10.1107/S0567740875007832
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'O37 P6 Zn5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.39
_cell_angle_beta                 115.08
_cell_angle_gamma                70.19
_cell_length_a                   10.766
_cell_length_b                   10.316
_cell_length_c                   8.525
_cell_formula_units_Z            1
_cell_volume                     779.167
_database_code_amcsd             0015934
_exptl_crystal_density_diffrn    2.354
_cod_duplicate_entry             1007252
_cod_original_formula_sum        'Zn5 P6 O37'
_cod_database_code               9014125
_amcsd_formula_title             Zn5(P3O10)2(H2O)17
Neutron diffraction study of babingtonite at 80 K Note: T = 80 K
Tagai, T.; Joswig, W.; Fuess, H.; Mineralogical Journal 15 (1990) 8–18; doi:10.2465/minerj.15.8

data_9014126
_publ_section_title
;
 Neutron diffraction study of babingtonite at 80 K
 Note: T = 80 K
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              8
_journal_page_last               18
_journal_paper_doi               10.2465/minerj.15.8
_journal_volume                  15
_journal_year                    1990
_chemical_compound_source        'Yakuki mine, Japan'
_chemical_formula_sum            'Al0.07 Ca2 Fe1.72 H Mg0.04 Mn0.17 O15 Si5'
_chemical_name_mineral           Babingtonite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.18
_cell_angle_beta                 93.90
_cell_angle_gamma                112.27
_cell_length_a                   7.497
_cell_length_b                   12.225
_cell_length_c                   6.710
_cell_formula_units_Z            2
_cell_volume                     567.231
_database_code_amcsd             0018508
_exptl_crystal_density_diffrn    3.336
_cod_original_formula_sum        'Ca2 Fe1.72 Mn.17 Mg.04 Al.07 Si5 H O15'
_cod_database_code               9014126
Neutron diffraction in Ti1.2 Mn1.8 deuteride. Structural and magnetic aspects _cod_database_code 1008272
Fruchart, D.; Soubeyroux, J.; Hempelmann, R.; Journal of the Less-Common Metals 99 (1984) 307–319; doi:10.1016/0022-5088(84)90229-7

data_9014127
_publ_section_title
;
 Neutron diffraction in Ti1.2 Mn1.8 deuteride. Structural and
 magnetic aspects
 _cod_database_code 1008272
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              307
_journal_page_last               319
_journal_paper_doi               10.1016/0022-5088(84)90229-7
_journal_volume                  99
_journal_year                    1984
_chemical_formula_sum            'D6.024 Mn3.6 Ti2.4'
_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_length_a                   5.258
_cell_length_b                   5.258
_cell_length_c                   8.577
_cell_formula_units_Z            2
_cell_volume                     205.356
_database_code_amcsd             0016194
_exptl_crystal_density_diffrn    5.253
_cod_duplicate_entry             1008272
_cod_original_formula_sum        'Ti2.4 Mn3.6 D6.024'
_cod_database_code               9014127
_amcsd_formula_title             'D3.01 Mn1.8 Ti1.2'
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 280 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_9014128
_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 = 280 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                   6.753
_cell_length_c                   4.514
_cell_measurement_temperature    280
_cell_volume                     154.915
_database_code_amcsd             0019112
_diffrn_ambient_temperature      280
_exptl_crystal_density_diffrn    7.699
_cod_duplicate_entry             2300075
_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               9014128
Cranswickite MgSO4*4H2O, a new mineral from Calingasta, Argentina
Peterson, R. C.; American Mineralogist 96 (2011) 869–877; doi:10.2138/am.2011.3673

data_9014129
_publ_section_title
;
 Cranswickite MgSO4*4H2O, a new mineral from Calingasta, Argentina
;
_journal_name_full               'American Mineralogist'
_journal_page_first              869
_journal_page_last               877
_journal_paper_doi               10.2138/am.2011.3673
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Calingasta, San Juan Province, Argentina'
_chemical_formula_sum            'H8 Mg O8 S'
_chemical_name_mineral           Cranswickite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.548
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9236
_cell_length_b                   5.1736
_cell_length_c                   12.1958
_cell_volume                     667.037
_database_code_amcsd             0018329
_exptl_crystal_density_diffrn    1.916
_cod_depositor_comments
;
         Z inserted to be consistent with given formula
        Water oxygen atoms renamed so that they are treated as oxygens
                                          miguel
;
_cod_original_formula_sum        'Mg S O8 H8'
_cod_database_code               9014129