LMucko/crystallography-open-database huggingface dataset:
The structure of dilithium dihydrogen 1,2,4,5,-benzenetetracarboxylate tetrahydrate (dilithium dihydrogen pyromellitate tetrahydrate)
Jessen, S. M.; Kuppers, H.; Acta Crystallographica, Section C 46 (1990) 2351–2354; doi:10.1107/S0108270190004863

data_9007878
_publ_section_title
;
 The structure of dilithium dihydrogen 1,2,4,5,-benzenetetracarboxylate
 tetrahydrate (dilithium dihydrogen pyromellitate tetrahydrate)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2351
_journal_page_last               2354
_journal_paper_doi               10.1107/S0108270190004863
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Li2C10H4O8.4H2O
_chemical_formula_sum            'C5 H6 Li O6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.66
_cell_angle_beta                 89.21
_cell_angle_gamma                89.80
_cell_formula_units_Z            2
_cell_length_a                   4.586
_cell_length_b                   8.539
_cell_length_c                   8.525
_cell_volume                     333.526
_database_code_amcsd             0010241
_exptl_crystal_density_diffrn    1.683
_cod_original_formula_sum        'C5 O6 Li H6'
_cod_database_code               9007878
_amcsd_formula_title             Li2C10H4O8.4H2O
Structure of (ethylenediamine)(tetramethylenediamine)(trimethylenediamine)- cobalt(III) hexacyanocobaltate(III)monohydrate,-(+)589[Co(en)(tn)(tmd)]- [Co(CN)6].H20
Takazawa, H.; Ohba, S.; Saito, Y.; Ichida, H.; Rasmussen, K.; Acta Crystallographica, Section C 46 (1990) 2354–2357; doi:10.1107/S0108270190004395

data_9007879
_publ_section_title
;
 Structure of (ethylenediamine)(tetramethylenediamine)(trimethylenediamine)-
 cobalt(III) hexacyanocobaltate(III)monohydrate,-(+)589[Co(en)(tn)(tmd)]-
 [Co(CN)6].H20
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2354
_journal_page_last               2357
_journal_paper_doi               10.1107/S0108270190004395
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     '[Co(C2H4N2)(C3H6N2)(C4H8N2)][Co(CN)6].H20'
_chemical_formula_sum            'C30 Co4 N24 O2'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                100.47
_cell_angle_beta                 113.93
_cell_angle_gamma                81.37
_cell_length_a                   9.599
_cell_length_b                   15.344
_cell_length_c                   8.944
_cell_formula_units_Z            1
_cell_volume                     1179.773
_database_code_amcsd             0010242
_exptl_crystal_density_diffrn    1.357
_cod_original_formula_sum        'Co4 O2 N24 C30'
_cod_database_code               9007879
_amcsd_formula_title             '[Co(C2H4N2)(C3H6N2)(C4H8N2)][Co(CN)6].H20'
Room-temperature structure of iron(II) hexafluorostannate(IV)hexahydrate
Benghalem, A.; Leblanc, M.; Calage, Y.; Acta Crystallographica, Section C 46 (1990) 2453–2454; doi:10.1107/S010827019000378X

data_9007880
_publ_section_title
;
 Room-temperature structure of iron(II)
 hexafluorostannate(IV)hexahydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2453
_journal_page_last               2454
_journal_paper_doi               10.1107/S010827019000378X
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     FeSnF6.6H2O
_chemical_formula_sum            'F6 Fe H12 O6 Sn'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.826
_cell_length_b                   9.826
_cell_length_c                   10.106
_cell_formula_units_Z            3
_cell_volume                     845.013
_exptl_crystal_density_diffrn    2.338
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Fe Sn F6 O6 H12'
_cod_database_code               9007880
_cod_duplicate_entry 1000466
Aluminium trimagnesium diplatinum
Range, K. J.; Rau, F.; Klement, U.; Acta Crystallographica, Section C 46 (1990) 2454–2455; doi:10.1107/S0108270190006151

data_9007881
_publ_section_title
;
 Aluminium trimagnesium diplatinum
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2454
_journal_page_last               2455
_journal_paper_doi               10.1107/S0108270190006151
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     AlMg3Pt2
_chemical_formula_sum            'Al Mg3 Pt2'
_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                   11.802
_cell_length_b                   11.802
_cell_length_c                   11.802
_cell_formula_units_Z            16
_cell_volume                     1643.868
_database_code_amcsd             0010244
_exptl_crystal_density_diffrn    7.920
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9007881
_amcsd_formula_title             AlMg3Pt2
Structure of Er5Sb3
Borzone, G.; Fornasini, M. L.; Acta Crystallographica, Section C 46 (1990) 2456–2457; doi:10.1107/S0108270190005583

data_9007882
_publ_section_title
;
 Structure of Er5Sb3
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2456
_journal_page_last               2457
_journal_paper_doi               10.1107/S0108270190005583
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Er5Sb3
_chemical_formula_sum            'Er5 Sb3'
_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_length_a                   11.662
_cell_length_b                   9.136
_cell_length_c                   8.007
_cell_formula_units_Z            4
_cell_volume                     853.098
_database_code_amcsd             0010245
_exptl_crystal_density_diffrn    9.355
_cod_database_code               9007882
_amcsd_formula_title             Er5Sb3
Refinement of the structure of liroconite, a heteropolyhedral framework oxysalt mineral
Burns, P. C.; Eby, R. K.; Hawthorne, F. C.; Acta Crystallographica, Section C 47 (1991) 916–919; doi:10.1107/S0108270190010939

data_9007883
_publ_section_title
;
 Refinement of the structure of liroconite,
 a heteropolyhedral framework oxysalt mineral
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              916
_journal_page_last               919
_journal_paper_doi               10.1107/S0108270190010939
_journal_volume                  47
_journal_year                    1991
_chemical_compound_source        'Roughton Gill, England'
_chemical_formula_sum            'Al As Cu2 H12 O12'
_chemical_name_mineral           Liroconite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.32
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.664
_cell_length_b                   7.563
_cell_length_c                   9.914
_cell_volume                     949.289
_database_code_amcsd             0010249
_exptl_crystal_density_diffrn    3.030
_cod_original_formula_sum        'Cu2 Al As O12 H12'
_cod_database_code               9007883
The importance of accurate crystal structure determination of uranium minerals. II. Soddyite (UO2)2(SiO4)*2H2O
Demartin, F.; Gramaccioli, C. M.; Pilati, T.; Acta Crystallographica, Section C 48 (1992) 1–4; doi:10.1107/S0108270191004481

data_9007884
_publ_section_title
;
 The importance of accurate crystal structure determination
 of uranium minerals. II. Soddyite (UO2)2(SiO4)*2H2O
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1
_journal_page_last               4
_journal_paper_doi               10.1107/S0108270191004481
_journal_volume                  48
_journal_year                    1992
_chemical_compound_source        'Democratic Republic of the Congo'
_chemical_formula_sum            'H4 O10 Si U2'
_chemical_name_mineral           Soddyite
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.334
_cell_length_b                   11.212
_cell_length_c                   18.668
_cell_volume                     1744.353
_database_code_amcsd             0010268
_exptl_crystal_density_diffrn    5.089
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'U2 Si O10 H4'
_cod_database_code               9007884
Structure of cobalt sulfate tetrahydrate Locality: synthetic
Kellersohn, T.; Acta Crystallographica, Section C 48 (1992) 776–779; doi:10.1107/S0108270191012003

data_9007885
_publ_section_title
;
 Structure of cobalt sulfate tetrahydrate
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              776
_journal_page_last               779
_journal_paper_doi               10.1107/S0108270191012003
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Co D8 O8 S'
_chemical_name_mineral           'Aplowite (deuterated)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.53
_cell_angle_gamma                90
_cell_length_a                   5.952
_cell_length_b                   13.576
_cell_length_c                   7.908
_cell_formula_units_Z            4
_cell_volume                     638.973
_exptl_crystal_density_diffrn    2.444
_cod_original_cell_volume        638.974
_cod_original_formula_sum        'Co S O8 D8'
_cod_database_code               9007885
_cod_duplicate_entry 2000865
A redetermination of monoclinic gamma-sulfur Note: known as gamma sulfur
Gallacher, A. C.; Pinkerton, A. A.; Acta Crystallographica, Section C 49 (1993) 125–126; doi:10.1107/S0108270192009661

data_9007886
_publ_section_title
;
 A redetermination of monoclinic gamma-sulfur
 Note: known as gamma sulfur
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              125
_journal_page_last               126
_journal_paper_doi               10.1107/S0108270192009661
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            S8
_chemical_name_mineral           Rosickyite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.89
_cell_angle_gamma                90
_cell_length_a                   8.455
_cell_length_b                   13.052
_cell_length_c                   9.267
_cell_formula_units_Z            4
_cell_volume                     838.836
_database_code_amcsd             0010279
_exptl_crystal_density_diffrn    2.031
_cod_database_code               9007886
Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation Note: anisoU's taken from ICSD Note: isostructural with gypsum
Kohlmann, M.; Sowa, H.; Reithmayer, K.; Schulz, H.; Kruger, R. R.; Abriel, W.; Acta Crystallographica, Section C 50 (1994) 1651–1652; doi:10.1107/S0108270194000806

data_9007887
_publ_section_title
;Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron
 radiation Note: anisoU's taken from ICSD Note: isostructural with gypsum
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1651
_journal_page_last               1652
_journal_paper_doi               10.1107/S0108270194000806
_journal_volume                  50
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947'
_chemical_name_mineral           Churchite-(Y)
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.83
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.578
_cell_length_b                   15.006
_cell_length_c                   6.275
_cell_volume                     464.488
_database_code_amcsd             0010295
_exptl_crystal_density_diffrn    3.201
_cod_original_formula_sum        '(Y.947 Dy.028 Er.018 Gd.007) P O6 H4'
_cod_database_code               9007887
Chlorapatite: Ca5(AsO4)3Cl Note: anisotropic temperature factors taken from ICSD
Wardojo, T. A.; Hwu, S.-J.; Acta Crystallographica, Section C 52 (1996) 2959–2960; doi:10.1107/S0108270196011006

data_9007888
_publ_section_title
;
 Chlorapatite: Ca5(AsO4)3Cl
 Note: anisotropic temperature factors taken from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2959
_journal_page_last               2960
_journal_paper_doi               10.1107/S0108270196011006
_journal_volume                  52
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As3 Ca5 Cl O12'
_chemical_name_mineral           Turneaureite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.076
_cell_length_b                   10.076
_cell_length_c                   6.807
_cell_formula_units_Z            2
_cell_volume                     598.498
_database_code_amcsd             0010311
_exptl_crystal_density_diffrn    3.621
_cod_original_formula_sum        'Ca5 As3 O12 Cl'
_cod_database_code               9007888
LiInSiO4: a new monovalent-trivalent olivine
Redhammer, G. J.; Roth, G.; Acta Crystallographica, Section C 59 (2003) i38–i40; doi:10.1107/S0108270103006346

data_9007890
_publ_section_title
;
 LiInSiO4: a new monovalent-trivalent olivine
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              i38
_journal_page_last               i40
_journal_paper_doi               10.1107/S0108270103006346
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     LiInSiO4
_chemical_formula_sum            'In Li O4 Si'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.8448
_cell_length_b                   10.5043
_cell_length_c                   6.0634
_cell_formula_units_Z            4
_cell_volume                     308.574
_exptl_crystal_density_diffrn    4.603
_cod_original_formula_sum        'Li In Si O4'
_cod_database_code               9007890
_cod_duplicate_entry 2013357
Superstructure of a-phase potassium nitrate Locality: synthetic
Adiwidjaja, G.; Pohl, D.; Acta Crystallographica, Section C 59 (2003) i139–i140; doi:10.1107/S0108270103025277

data_9007891
_publ_section_title
;
 Superstructure of a-phase potassium nitrate
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              i139
_journal_page_last               i140
_journal_volume                  59
_journal_year                    2003
_chemical_formula_sum            'K N O3'
_chemical_name_mineral           Niter
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.825
_cell_length_b                   18.351
_cell_length_c                   6.435
_cell_formula_units_Z            16
_cell_volume                     1278.310
_exptl_crystal_density_diffrn    2.101
_cod_database_code               9007891
_journal_paper_doi 10.1107/S0108270103025277
_cod_duplicate_entry 2013633
A new reduced molybdenum oxide with a hollandite-type structure, PrMo6O12
Barrier, N.; Tortelier, J.; Gougeon, P.; Acta Crystallographica, Section E 57 (2001) i3–i5; doi:10.1107/S1600536800019048

data_9007892
_publ_section_title
;
 A new reduced molybdenum oxide with a hollandite-type structure, PrMo6O12
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i3
_journal_page_last               i5
_journal_paper_doi               10.1107/S1600536800019048
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     PrMo6O12
_chemical_formula_sum            'Mo6 O12 Pr'
_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_length_a                   9.9147
_cell_length_b                   9.9147
_cell_length_c                   8.6508
_cell_formula_units_Z            4
_cell_volume                     850.385
_exptl_crystal_density_diffrn    7.096
_cod_original_formula_sum        'Pr Mo6 O12'
_cod_database_code               9007892
_cod_duplicate_entry 2003034
Cadmium(II) metaarsenate(V), CdAs2O6
Weil, M.; Acta Crystallographica, Section E 57 (2001) i22–i23; doi:10.1107/S1600536801003865

data_9007893
_publ_section_title
;
 Cadmium(II) metaarsenate(V), CdAs2O6
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i22
_journal_page_last               i23
_journal_paper_doi               10.1107/S1600536801003865
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     CdAs2O6
_chemical_formula_sum            'As2 Cd O6'
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.8269
_cell_length_b                   4.8269
_cell_length_c                   4.8660
_cell_formula_units_Z            1
_cell_volume                     98.184
_database_code_amcsd             0010351
_exptl_crystal_density_diffrn    6.059
_cod_original_formula_sum        'Cd As2 O6'
_cod_database_code               9007893
_amcsd_formula_title             CdAs2O6
Magnesium selenite dihydrate, MgSeO3*2H2O
Johnston, M. G.; Harrison, W. T. A.; Acta Crystallographica, Section E 57 (2001) i24–i25; doi:10.1107/S1600536801004135

data_9007894
_publ_section_title
;
 Magnesium selenite dihydrate, MgSeO3*2H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i24
_journal_page_last               i25
_journal_paper_doi               10.1107/S1600536801004135
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     MgSeO3*2H2O
_chemical_formula_sum            'H4 Mg O5 Se'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.7530
_cell_angle_gamma                90
_cell_length_a                   6.4818
_cell_length_b                   8.7975
_cell_length_c                   7.6367
_cell_formula_units_Z            4
_cell_volume                     430.401
_database_code_amcsd             0010352
_exptl_crystal_density_diffrn    2.890
_cod_original_formula_sum        'Mg Se O5 H4'
_cod_database_code               9007894
_amcsd_formula_title             MgSeO3*2H2O
Refinement of ferrous sulfate heptahydrate (melanterite) with low-temperature CCD data Note: T = 120 K Locality: synthetic
Fronczek, F. R.; Collins, S. N.; Chan, J. Y.; Acta Crystallographica, Section E 57 (2001) i26–i27; doi:10.1107/S1600536801004202

data_9007895
_publ_section_title
;
 Refinement of ferrous sulfate heptahydrate (melanterite) with
 low-temperature CCD data
 Note: T = 120 K
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i26
_journal_page_last               i27
_journal_paper_doi               10.1107/S1600536801004202
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'Fe H14 O11 S'
_chemical_name_mineral           Melanterite
_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                 105.5959
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9969
_cell_length_b                   6.4803
_cell_length_c                   11.0211
_cell_volume                     962.853
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    1.918
_cod_depositor_comments
;
  Z value inserted to be consistent with given formula
                               Miguel.
;
_cod_original_formula_sum        'Fe S O11 H14'
_cod_database_code               9007895
Cadmium(II) diarsenate(V), Cd2As2O7
Weil, M.; Acta Crystallographica, Section E 57 (2001) i28–i29; doi:10.1107/S1600536801004342

data_9007896
_publ_section_title
;
 Cadmium(II) diarsenate(V), Cd2As2O7
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i28
_journal_page_last               i29
_journal_paper_doi               10.1107/S1600536801004342
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     Cd2As2O7
_chemical_formula_sum            'As2 Cd2 O7'
_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                 101.770
_cell_angle_gamma                90
_cell_length_a                   6.9446
_cell_length_b                   9.0365
_cell_length_c                   4.8530
_cell_formula_units_Z            2
_cell_volume                     298.146
_exptl_crystal_density_diffrn    5.421
_cod_original_formula_sum        'Cd2 As2 O7'
_cod_database_code               9007896
_cod_duplicate_entry 2200093