LMucko/crystallography-open-database huggingface dataset:
The crystal structure of synthetic autunite, Ca[(UO2)(PO4)]2(H2O)11
Locock, A. J.; Burns, P. C.; American Mineralogist 88 (2003) 240–244; doi:

data_9002888
_publ_section_title
;
 The crystal structure of synthetic autunite, Ca[(UO2)(PO4)]2(H2O)11
;
_journal_name_full               'American Mineralogist'
_journal_page_first              240
_journal_page_last               244
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Ca0.86 H22 O23 P2 U2'
_chemical_name_mineral           Autunite
_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                   14.0135
_cell_length_b                   20.7121
_cell_length_c                   6.9959
_cell_formula_units_Z            4
_cell_volume                     2030.553
_database_code_amcsd             0002977
_exptl_crystal_density_diffrn    3.149
_cod_original_formula_sum        'U2 P2 Ca.86 O23 H22'
_cod_database_code               9002888
Hydrogen-bonded water in laumontite I: X-ray powder diffraction study of water site occupancy and structural changes in laumontite during room-temperature isothermal hydration/dehydration Sample: P = 0.11 mbar PH2O
Fridriksson, T.; Bish, D. L.; Bird, D. K.; American Mineralogist 88 (2003) 277–287; doi:

data_9002889
_publ_section_title
;
 Hydrogen-bonded water in laumontite I: X-ray powder diffraction
 study of water site occupancy and structural changes in laumontite
 during room-temperature isothermal hydration/dehydration
 Sample: P = 0.11 mbar PH2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              277
_journal_page_last               287
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 Ca H14 O15.126 Si4'
_chemical_name_mineral           Laumontite
_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                 112.121
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.70542
_cell_length_b                   13.07118
_cell_length_c                   7.45156
_cell_volume                     1326.886
_database_code_amcsd             0002978
_exptl_crystal_density_diffrn    2.315
_cod_original_formula_sum        'Si4 Al2 O15.126 Ca H14'
_cod_database_code               9002889
Hydrogen-bonded water in laumontite I: X-ray powder diffraction study of water site occupancy and structural changes in laumontite during room-temperature isothermal hydration/dehydration Sample: P = 16.4 mbar PH2O
Fridriksson, T.; Bish, D. L.; Bird, D. K.; American Mineralogist 88 (2003) 277–287; doi:

data_9002890
_publ_section_title
;
 Hydrogen-bonded water in laumontite I: X-ray powder diffraction
 study of water site occupancy and structural changes in laumontite
 during room-temperature isothermal hydration/dehydration
 Sample: P = 16.4 mbar PH2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              277
_journal_page_last               287
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 Ca H14 O15.522 Si4'
_chemical_name_mineral           Laumontite
_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                 112.0399
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.74716
_cell_length_b                   13.06601
_cell_length_c                   7.55735
_cell_volume                     1349.785
_exptl_crystal_density_diffrn    2.307
_cod_original_formula_sum        'Si4 Al2 O15.522 Ca H14'
_cod_database_code               9002890
Hydrogen-bonded water in laumontite I: X-ray powder diffraction study of water site occupancy and structural changes in laumontite during room-temperature isothermal hydration/dehydration Sample: P = P = 37.6 mbar PH2O
Fridriksson, T.; Bish, D. L.; Bird, D. K.; American Mineralogist 88 (2003) 277–287; doi:

data_9002891
_publ_section_title
;
 Hydrogen-bonded water in laumontite I: X-ray powder diffraction
 study of water site occupancy and structural changes in laumontite
 during room-temperature isothermal hydration/dehydration
 Sample: P = P = 37.6 mbar PH2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              277
_journal_page_last               287
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 Ca H12 O16.323 Si4'
_chemical_name_mineral           Laumontite
_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                 110.196
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.8786
_cell_length_b                   13.1708
_cell_length_c                   7.5373
_cell_volume                     1386.220
_database_code_amcsd             0002980
_exptl_crystal_density_diffrn    2.298
_cod_original_formula_sum        'Si4 Al2 O16.323 Ca H12'
_cod_database_code               9002891
Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 0.0 GPa
Rath, S.; Kunz, M.; Miletich, R.; American Mineralogist 88 (2003) 293–300; doi:

data_9002892
_publ_section_title
;
 Pressure-induced phase transition in malayaite, CaSnOSiO4
 Sample: at P = 0.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              293
_journal_page_last               300
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.362
_cell_angle_gamma                90
_cell_length_a                   7.1523
_cell_length_b                   8.8902
_cell_length_c                   6.6677
_cell_formula_units_Z            4
_cell_volume                     389.210
_database_code_amcsd             0002981
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    4.554
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9002892
Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 4.238 GPa
Rath, S.; Kunz, M.; Miletich, R.; American Mineralogist 88 (2003) 293–300; doi:

data_9002893
_publ_section_title
;
 Pressure-induced phase transition in malayaite, CaSnOSiO4
 Sample: at P = 4.238 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              293
_journal_page_last               300
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.948
_cell_angle_gamma                90
_cell_length_a                   7.0560
_cell_length_b                   8.8436
_cell_length_c                   6.5629
_cell_formula_units_Z            4
_cell_volume                     377.117
_database_code_amcsd             0002982
_diffrn_ambient_pressure         4.238e+06
_exptl_crystal_density_diffrn    4.700
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9002893
Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 4.505 GPa
Rath, S.; Kunz, M.; Miletich, R.; American Mineralogist 88 (2003) 293–300; doi:

data_9002894
_publ_section_title
;
 Pressure-induced phase transition in malayaite, CaSnOSiO4
 Sample: at P = 4.505 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              293
_journal_page_last               300
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.925
_cell_angle_gamma                90
_cell_length_a                   7.0498
_cell_length_b                   8.8402
_cell_length_c                   6.5573
_cell_formula_units_Z            4
_cell_volume                     376.384
_database_code_amcsd             0002983
_diffrn_ambient_pressure         4.505e+06
_exptl_crystal_density_diffrn    4.710
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9002894
Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 5.769 GPa
Rath, S.; Kunz, M.; Miletich, R.; American Mineralogist 88 (2003) 293–300; doi:

data_9002895
_publ_section_title
;
 Pressure-induced phase transition in malayaite, CaSnOSiO4
 Sample: at P = 5.769 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              293
_journal_page_last               300
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)'
_symmetry_space_group_name_H-M   'A -1'
_cell_angle_alpha                89.861
_cell_angle_beta                 112.840
_cell_angle_gamma                90.171
_cell_length_a                   7.0252
_cell_length_b                   8.8281
_cell_length_c                   6.5318
_cell_formula_units_Z            4
_cell_volume                     373.332
_database_code_amcsd             0002984
_diffrn_ambient_pressure         5.769e+06
_exptl_crystal_density_diffrn    4.748
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9002895
Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 7.33 GPa
Rath, S.; Kunz, M.; Miletich, R.; American Mineralogist 88 (2003) 293–300; doi:

data_9002896
_publ_section_title
;
 Pressure-induced phase transition in malayaite, CaSnOSiO4
 Sample: at P = 7.33 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              293
_journal_page_last               300
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)'
_symmetry_space_group_name_H-M   'A -1'
_cell_angle_alpha                89.175
_cell_angle_beta                 112.738
_cell_angle_gamma                91.104
_cell_length_a                   6.9948
_cell_length_b                   8.8103
_cell_length_c                   6.4976
_cell_formula_units_Z            4
_cell_volume                     369.224
_database_code_amcsd             0002985
_diffrn_ambient_pressure         7.33e+06
_exptl_crystal_density_diffrn    4.801
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9002896
Cafetite, Ca[Ti2O5](H2O): Crystal structure and revision of chemical formula
Krivovichev, S. V.; Yakovenchuk, V. N.; Burns, P. C.; Pakhomovsky, Y. A.; Menshikov, Y. P.; American Mineralogist 88 (2003) 424–429; doi:

data_9002897
_publ_section_title
;
 Cafetite, Ca[Ti2O5](H2O): Crystal structure and revision of chemical formula
;
_journal_name_full               'American Mineralogist'
_journal_page_first              424
_journal_page_last               429
_journal_volume                  88
_journal_year                    2003
_chemical_compound_source
'alkaline rocks in the Afrikanda massif, Kola Peninsula, Russia'
_chemical_formula_sum            'Ca H2 O6 Ti2'
_chemical_name_mineral           Cafetite
_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                 98.937
_cell_angle_gamma                90
_cell_length_a                   4.9436
_cell_length_b                   12.109
_cell_length_c                   15.911
_cell_formula_units_Z            8
_cell_volume                     940.902
_database_code_amcsd             0002986
_exptl_crystal_density_diffrn    3.302
_cod_original_formula_sum        'Ti2 Ca O6 H2'
_cod_database_code               9002897
Order-disorder approach to calcioaravaipaite, [PbCa2Al(F,OH)9]: The crystal structure of the triclinic MDO polytype
Kampf, A. R.; Merlino, S.; Pasero, M.; American Mineralogist 88 (2003) 430–435; doi:

data_9002898
_publ_section_title
;
 Order-disorder approach to calcioaravaipaite, [PbCa2Al(F,OH)9]:
 The crystal structure of the triclinic MDO polytype
;
_journal_name_full               'American Mineralogist'
_journal_page_first              430
_journal_page_last               435
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al Ca2 F9 Pb'
_chemical_name_mineral           Calcioaravaipaite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                98.86
_cell_angle_beta                 96.91
_cell_angle_gamma                90.00
_cell_length_a                   7.722
_cell_length_b                   7.516
_cell_length_c                   12.206
_cell_formula_units_Z            4
_cell_volume                     694.757
_database_code_amcsd             0002987
_exptl_crystal_density_diffrn    4.640
_cod_original_formula_sum        'Pb Ca2 Al F9'
_cod_database_code               9002898
Another step toward understanding the true nature of sartorite: Determination and refinement of a ninefold superstructure
Berlepsch, P.; Armbruster, T.; Makovicky, E.; Topa, D.; American Mineralogist 88 (2003) 450–461; doi:

data_9002899
_publ_section_title
;
 Another step toward understanding the true nature of sartorite:
 Determination and refinement of a ninefold superstructure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              450
_journal_page_last               461
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'As17.464 Pb9.536 S35'
_chemical_name_mineral           Sartorite
_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                 101.993
_cell_angle_gamma                90
_cell_length_a                   37.71
_cell_length_b                   7.898
_cell_length_c                   20.106
_cell_formula_units_Z            4
_cell_volume                     5857.537
_database_code_amcsd             0002988
_exptl_crystal_density_diffrn    4.997
_cod_original_formula_sum        'Pb9.536 As17.464 S35'
_cod_database_code               9002899
Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite
Friedrich, A.; Mazzi, F.; Wildner, M.; Tillmanns, E.; American Mineralogist 88 (2003) 462–463; doi:

data_9002900
_publ_section_title
;
 Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              462
_journal_page_last               463
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     Co(H2O)6[Sb(OH)6]2
_chemical_formula_sum            'Co O18 Sb2'
_space_group_IT_number           143
_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                   16.105
_cell_length_b                   16.105
_cell_length_c                   9.851
_cell_formula_units_Z            6
_cell_volume                     2212.750
_database_code_amcsd             0002989
_exptl_crystal_density_diffrn    2.658
_cod_original_formula_sum        'Sb2 Co O18'
_cod_database_code               9002900
_amcsd_formula_title             Co(H2O)6[Sb(OH)6]2
Ultrapotassic clinopyroxene from the Kumdy-Kol microdiamond mine, Kokchetav Complex, Kazakhstan: Occurrence, composition and crystal-chemical characterization
Bindi, L.; Safonov, O. G.; Yapaskurt, V. O.; Perchuk, L. L.; Menchetti, S.; American Mineralogist 88 (2003) 464–468; doi:

data_9002901
_publ_section_title
;Ultrapotassic clinopyroxene from the Kumdy-Kol microdiamond mine, Kokchetav
 Complex, Kazakhstan: Occurrence, composition and crystal-chemical
 characterization
;
_journal_name_full               'American Mineralogist'
_journal_page_first              464
_journal_page_last               468
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum
'Al Ca0.61 Fe0.13 K0.17 Mg0.43 Mn0.01 Na0.05 O6 Si1.61'
_chemical_name_mineral           Augite
_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                 105.75
_cell_angle_gamma                90
_cell_length_a                   9.773
_cell_length_b                   8.926
_cell_length_c                   5.269
_cell_formula_units_Z            4
_cell_volume                     442.378
_database_code_amcsd             0002990
_exptl_crystal_density_diffrn    3.284
_cod_original_formula_sum
'Ca.61 Fe.13 Mg.43 Mn.01 K.17 Na.05 Al Si1.61 O6'
_cod_database_code               9002901
Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: fully hydrated at room temperature
Dobelin, N.; Armbruster, T.; American Mineralogist 88 (2003) 527–533; doi:

data_9002902
_publ_section_title
;
 Stepwise dehydration of Sr-exchanged heulandite:
 A single-crystal X-ray study
 Note: fully hydrated at room temperature
;
_journal_name_full               'American Mineralogist'
_journal_page_first              527
_journal_page_last               533
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al4.5 H34 O48.88 Si13.5 Sr2.116'
_chemical_name_mineral           Heulandite-Sr
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.627
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.714
_cell_length_b                   18.000
_cell_length_c                   7.430
_cell_volume                     2117.814
_database_code_amcsd             0002991
_exptl_crystal_density_diffrn    2.356
_cod_original_formula_sum        'Sr2.116 (Si13.5 Al4.5) O48.88 H34'
_cod_database_code               9002902
Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 100 deg C, measured at -170 deg C
Dobelin, N.; Armbruster, T.; American Mineralogist 88 (2003) 527–533; doi:

data_9002903
_publ_section_title
;
 Stepwise dehydration of Sr-exchanged heulandite:
 A single-crystal X-ray study
 Note: dehydrated at 100 deg C, measured at -170 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              527
_journal_page_last               533
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al4.5 H34 O48.49 Si13.5 Sr2.094'
_chemical_name_mineral           Heulandite-Sr
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.653
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.698
_cell_length_b                   17.970
_cell_length_c                   7.426
_cell_volume                     2110.757
_database_code_amcsd             0002992
_exptl_crystal_density_diffrn    2.351
_cod_original_formula_sum        'Sr2.094 (Si13.5 Al4.5) O48.49 H34'
_cod_database_code               9002903
Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 150 deg C, measured at -170 deg C
Dobelin, N.; Armbruster, T.; American Mineralogist 88 (2003) 527–533; doi:

data_9002904
_publ_section_title
;
 Stepwise dehydration of Sr-exchanged heulandite:
 A single-crystal X-ray study
 Note: dehydrated at 150 deg C, measured at -170 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              527
_journal_page_last               533
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al4.5 H34 O45.29 Si13.5 Sr2.079'
_chemical_name_mineral           Heulandite-Sr
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.851
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.643
_cell_length_b                   17.842
_cell_length_c                   7.418
_cell_volume                     2083.326
_database_code_amcsd             0002993
_exptl_crystal_density_diffrn    2.298
_cod_original_formula_sum        'Sr2.079 (Si13.5 Al4.5) O45.29 H34'
_cod_database_code               9002904
Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 200 deg C, measured at -170 deg C
Dobelin, N.; Armbruster, T.; American Mineralogist 88 (2003) 527–533; doi:

data_9002905
_publ_section_title
;
 Stepwise dehydration of Sr-exchanged heulandite:
 A single-crystal X-ray study
 Note: dehydrated at 200 deg C, measured at -170 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              527
_journal_page_last               533
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al4.5 H38 O44.58 Si13.5 Sr2.678'
_chemical_name_mineral           Heulandite-Sr
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.897
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.642
_cell_length_b                   17.775
_cell_length_c                   7.414
_cell_volume                     2073.423
_database_code_amcsd             0002994
_exptl_crystal_density_diffrn    2.381
_cod_original_cell_volume        2073.422
_cod_original_formula_sum        'Sr2.678 (Si13.5 Al4.5) O44.58 H38'
_cod_database_code               9002905