LMucko/crystallography-open-database huggingface dataset:
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 #AU86
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9015525
_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 #AU86
;
_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 Ca0.64 H4 O10 Si2 Sr0.36'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.10
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3427
_cell_length_b                   13.2039
_cell_length_c                   5.8448
_cell_volume                     341.424
_database_code_amcsd             0018937
_exptl_crystal_density_diffrn    3.223
_cod_original_formula_sum        '(Ca.64 Sr.36) Al2 Si2 O10 H4'
_cod_database_code               9015525
Ueber die Gitterstruktur des Aethans und des Diborans. _cod_database_code 1010491
Mark, H.; Pohland, E.; Zeitschrift fur Kristallographie 62 (1925) 103–112; doi:

data_9015526
_publ_section_title
;
 Ueber die Gitterstruktur des Aethans und des Diborans.
 _cod_database_code 1010491
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              103
_journal_page_last               112
_journal_volume                  62
_journal_year                    1925
_chemical_formula_sum            B
_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                   4.54
_cell_length_b                   4.54
_cell_length_c                   8.69
_cell_formula_units_Z            2
_cell_volume                     155.118
_database_code_amcsd             0017407
_exptl_crystal_density_diffrn    0.231
_cod_duplicate_entry             1010491
_cod_database_code               9015526
_amcsd_formula_title             'B2 H6'
Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2 (I O3)3 _cod_database_code 1008704
Bordet, P.; Boucherle, J.; Santoro, A.; Marezio, M.; Solid State Ionics 21 (1986) 243–254; doi:10.1016/0167-2738(86)90079-2

data_9015527
_publ_section_title
;
 Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2 (I O3)3
 _cod_database_code 1008704
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              243
_journal_page_last               254
_journal_paper_doi               10.1016/0167-2738(86)90079-2
_journal_volume                  21
_journal_year                    1986
_chemical_formula_sum            'H4 I3 N O9'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.57
_cell_angle_beta                 60.13
_cell_angle_gamma                70.33
_cell_length_a                   8.396
_cell_length_b                   8.363
_cell_length_c                   8.207
_cell_formula_units_Z            2
_cell_volume                     448.698
_database_code_amcsd             0016590
_exptl_crystal_density_diffrn    4.017
_cod_duplicate_entry             1008704
_cod_original_formula_sum        'I3 O9 N H4'
_cod_database_code               9015527
_amcsd_formula_title             'H6 I3 N O9'
Einige strukturelle Ergebnisse an metallischen Phasen II
Schubert, K.; Breimer, H.; Burkhardt, W.; Gunzel, E.; Haufler, R.; Lukas, H. L.; Vetter, H.; Wegst, J.; Wilkens, M.; Naturwissenschaften 44 (1957) 229–230; doi:

data_9015528
_publ_section_title
;
 Einige strukturelle Ergebnisse an metallischen Phasen II
;
_journal_name_full               Naturwissenschaften
_journal_page_first              229
_journal_page_last               230
_journal_volume                  44
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As0.1 Cu0.9'
_chemical_name_mineral           Algodonite
_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                   2.59
_cell_length_b                   2.59
_cell_length_c                   4.24
_cell_formula_units_Z            2
_cell_volume                     24.632
_database_code_amcsd             0018470
_exptl_crystal_density_diffrn    8.721
_cod_original_formula_sum        '(Cu.9 As.1)'
_cod_database_code               9015528
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 13.36 GPa, T = 1073 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015529
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 13.36 GPa, T = 1073 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.531
_cell_length_b                   3.531
_cell_length_c                   3.531
_cell_formula_units_Z            4
_cell_volume                     44.024
_database_code_amcsd             0019453
_exptl_crystal_density_diffrn    8.426
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015529
Neutron diffraction in Ti1.2 Mn1.8 deuteride. Structural and magnetic aspects _cod_database_code 1008271
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_9015530
_publ_section_title
;
 Neutron diffraction in Ti1.2 Mn1.8 deuteride. Structural and
 magnetic aspects
 _cod_database_code 1008271
;
_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            'D6.264 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                   5.271
_cell_length_b                   5.271
_cell_length_c                   8.579
_cell_formula_units_Z            2
_cell_volume                     206.421
_database_code_amcsd             0016193
_exptl_crystal_density_diffrn    5.234
_cod_duplicate_entry             1008271
_cod_original_formula_sum        'Ti2.4 Mn3.6 D6.264'
_cod_database_code               9015530
_amcsd_formula_title             'D3.13 Mn1.8 Ti1.2'
Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd3 (P3 O9)2 (H2 O)14
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 32 (1976) 1533–1535; doi:10.1107/S0567740876005712

data_9015531
_publ_section_title
;
 Etude a basse temperature du trimetaphosphate de cadmium tetradeca-
 hydrate Cd3 (P3 O9)2 (H2 O)14
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1533
_journal_page_last               1535
_journal_paper_doi               10.1107/S0567740876005712
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cd O10 P2'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.285
_cell_length_b                   12.285
_cell_length_c                   5.494
_cell_formula_units_Z            3
_cell_volume                     718.075
_database_code_amcsd             0009560
_exptl_crystal_density_diffrn    2.320
_cod_duplicate_entry             1007003
_cod_original_formula_sum        'Cd P2 O10'
_cod_database_code               9015531
_amcsd_formula_title             'Cd3 H28 O32 P6'
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q0, untreated
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9015532
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim23_q0, untreated
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe Nb0.13 O6 Ta1.87'
_chemical_name_mineral           Tapiolite-(Fe)
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7551
_cell_length_b                   4.7551
_cell_length_c                   9.2818
_cell_formula_units_Z            2
_cell_volume                     209.871
_database_code_amcsd             0018719
_exptl_crystal_density_diffrn    7.949
_cod_original_formula_sum        'Fe Ta1.87 Nb.13 O6'
_cod_database_code               9015532
On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
Furuseth, S.; Selte, K.; Kjekshus, A.; Acta Chemica Scandinavica 21 (1967) 527–536; doi:10.3891/acta.chem.scand.21-0527

data_9015533
_publ_section_title
;
 On the solid solubility and structural properties of PdAs2-xSbx,
 PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix,
 Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              527
_journal_page_last               536
_journal_paper_doi               10.3891/acta.chem.scand.21-0527
_journal_volume                  21
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Pt Sb2'
_chemical_name_mineral           Geversite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.4400
_cell_length_b                   6.4400
_cell_length_c                   6.4400
_cell_formula_units_Z            4
_cell_volume                     267.090
_database_code_amcsd             0017685
_exptl_crystal_density_diffrn    10.907
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9015533
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P0, P = 0.02 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9015534
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P0, P = 0.02 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.694
_cell_length_b                   4.694
_cell_length_c                   15.43
_cell_formula_units_Z            6
_cell_volume                     294.430
_database_code_amcsd             0017561
_exptl_crystal_density_diffrn    3.920
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015534
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L17, ordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9015535
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L17, ordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.286 Li1.557 Mn0.03 Na0.282 O30.286 Pb0.009 Si6 Ti0.006'
_chemical_name_mineral           Fluor-liddicoatite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.8337
_cell_length_b                   15.8337
_cell_length_c                   7.1023
_cell_formula_units_Z            3
_cell_volume                     1542.036
_database_code_amcsd             0018428
_exptl_crystal_density_diffrn    3.058
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.645 Na.282 Pb.009 Ti.006 Al7.296 Fe.009 Mn.03 Li1.557 Si6 B3 F.714 O30.286 H3.286'
_cod_database_code               9015535
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 100 K
Gatta, G. D.; Angel, R. J.; Carpenter, M. A.; American Mineralogist 95 (2010) 1027–1034; doi:10.2138/am.2010.3478

data_9015536
_publ_section_title
;
 Low-temperature behavior of natural kalsilite with P31c symmetry:
 An in situ single-crystal X-ray diffraction study
 T = 100 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1027
_journal_page_last               1034
_journal_paper_doi               10.2138/am.2010.3478
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'a granulite facies gneiss from the Punalur district in Kerala, India'
_chemical_formula_sum            'Al K0.984 O4 Si'
_chemical_name_mineral           Kalsilite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.1531
_cell_length_b                   5.1531
_cell_length_c                   8.7523
_cell_formula_units_Z            2
_cell_volume                     201.275
_database_code_amcsd             0005056
_exptl_crystal_density_diffrn    2.599
_cod_original_formula_sum        'K.984 Al Si O4'
_cod_database_code               9015536
High-pressure study of a natural cancrinite Note: P = 5.00 GPa
Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.; American Mineralogist 97 (2012) 872–882; doi:10.2138/am.2012.4039

data_9015537
_publ_section_title
;
 High-pressure study of a natural cancrinite
 Note: P = 5.00 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              872
_journal_page_last               882
_journal_paper_doi               10.2138/am.2012.4039
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Cameroun
_chemical_formula_sum            'C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3'
_chemical_name_mineral           Cancrinite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.322
_cell_length_b                   12.322
_cell_length_c                   4.905
_cell_volume                     644.959
_database_code_amcsd             0019032
_exptl_crystal_density_diffrn    2.711
_cod_original_formula_sum        'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2'
_cod_database_code               9015537
Structure cristalline du tripolyphosphate mixte zinc-sodium nonahydrate: Zn2 Na P3 O10 . 9 H2 O
Averbuch-Pouchot, M. T.; Guitel, J. C.; Acta Crystallographica, Section B 33 (1977) 1427–1431; doi:10.1107/S0567740877006220

data_9015538
_publ_section_title
;
 Structure cristalline du tripolyphosphate mixte zinc-sodium nonahydrate:
 Zn2 Na P3 O10 . 9 H2 O
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1427
_journal_page_last               1431
_journal_paper_doi               10.1107/S0567740877006220
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Na O19 P3 Zn2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.14
_cell_angle_beta                 109.85
_cell_angle_gamma                99.03
_cell_length_a                   10.454
_cell_length_b                   10.675
_cell_length_c                   8.629
_cell_formula_units_Z            2
_cell_volume                     862.456
_database_code_amcsd             0015960
_exptl_crystal_density_diffrn    2.121
_cod_duplicate_entry             1008012
_cod_original_formula_sum        'Zn2 Na P3 O19'
_cod_database_code               9015538
_amcsd_formula_title             'H18 Na O19 P3 Zn2'
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 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_9015539
_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 650 C
 Annealing time = 765 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            'Al1.457 Fe0.544 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                   8.1708
_cell_length_b                   8.1708
_cell_length_c                   8.1708
_cell_formula_units_Z            8
_cell_volume                     545.499
_database_code_amcsd             0019331
_exptl_crystal_density_diffrn    3.848
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.457 Mg1.001 Fe.544 O4'
_cod_database_code               9015539
X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: neutron data
Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.; Zeitschrift fur Kristallographie 157 (1981) 147–166; doi:10.1524/zkri.1981.157.3-4.147

data_9015540
_publ_section_title
;
 X-ray and neutron diffraction study of alums
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Sample: neutron data
;
_journal_issue                   3-4
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              147
_journal_page_last               166
_journal_paper_doi               10.1524/zkri.1981.157.3-4.147
_journal_volume                  157
_journal_year                    1981
_chemical_formula_sum            'C H30 Al N O20 S2'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.314
_cell_length_b                   12.314
_cell_length_c                   12.314
_cell_volume                     1867.228
_database_code_amcsd             0010841
_diffrn_radiation_probe          neutron
_exptl_crystal_density_diffrn    6.620
_cod_duplicate_entry             9011442
_cod_depositor_comments
;
 Changing the _chemical_formula_sum data item value from
 'C H30 Al N O12 Os8 S2' to 'C H30 Al N O20 S2'.

 Antanas Vaitkus,
 2017-01-15

 Adding the _diffrn_radiation_probe data item.

 Antanas Vaitkus,
 2017-01-15

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-01-15

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-15
;
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'N H30 C Al S2 Os8 O12'
_cod_database_code               9015540
_amcsd_formula_title             (NH3CH3)Al(SO4)2*12H2O