LMucko/crystallography-open-database huggingface dataset:
Crystal structure refinement of two tetragonal edingtonites
Mazzi, F.; Galli, E.; Gottardi, G.; Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 373–382; doi:

data_9009317
_publ_section_title
;
 Crystal structure refinement of two tetragonal edingtonites
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              373
_journal_page_last               382
_journal_volume                  1984
_journal_year                    1984
_chemical_compound_source        'Old Kilpatrick, Dumbartonshire, Scotland'
_chemical_formula_sum
'Al1.94 Ba0.879 H7.5 K0.025 Na0.03 O13.75 Si3.06'
_chemical_name_mineral           Edingtonite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.584
_cell_length_b                   9.584
_cell_length_c                   6.524
_cell_volume                     599.249
_database_code_amcsd             0014791
_exptl_crystal_density_diffrn    2.706
_cod_original_formula_sum
'Ba.879 Na.03 K.025 (Si3.06 Al1.94) O13.75 H7.5'
_cod_database_code               9009317
Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure Locality: Tsumeb, Namibia
Schmetzer, K.; Nuber, B.; Tremmel, G.; Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 393–403; doi:

data_9009318
_publ_section_title
;Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and
 structure Locality: Tsumeb, Namibia
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              393
_journal_page_last               403
_journal_volume                  1984
_journal_year                    1984
_chemical_formula_sum            'As2 Ca2 Fe3 H53.776 K0.602 Mo8 O53.074'
_chemical_name_mineral           Betpakdalite
_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                 131.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.44
_cell_length_b                   11.096
_cell_length_c                   15.25
_cell_volume                     2472.056
_exptl_crystal_density_diffrn    2.810
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-29
;
_cod_original_cell_volume        2472.057
_cod_original_formula_sum        'K.602 O53.074 Ca2 Mo8 As2 Fe3 H53.776'
_cod_database_code               9009318
Chabazite-type framework in the new zeolite willhendersonite, KCaAl3Si3O12*5H2O
Tillmanns, E.; Fischer, R. X.; Baur, W. H.; Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 547–558; doi:

data_9009319
_publ_section_title
;Chabazite-type framework in the new zeolite willhendersonite,
 KCaAl3Si3O12*5H2O
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              547
_journal_page_last               558
_journal_volume                  1984
_journal_year                    1984
_chemical_formula_sum            'Al3 Ca H11.27 K O17 Si3'
_chemical_name_mineral           Willhendersonite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.34
_cell_angle_beta                 92.70
_cell_angle_gamma                90.12
_cell_formula_units_Z            2
_cell_length_a                   9.206
_cell_length_b                   9.216
_cell_length_c                   9.500
_cell_volume                     804.431
_exptl_crystal_density_diffrn    2.179
_cod_depositor_comments
;
 Fixing _atom_site_label values from 'OlB' to 'O1B'.

 Antanas Vaitkus
 2013-04-02
;
_cod_original_formula_sum        'K Ca Al3 Si3 O17 H11.27'
_cod_database_code               9009319
The crystal structure of janhaugite, a sorosilicate of the cuspidine family
Annehed, H.; Falth, L.; Raade, G.; Neues Jahrbuch fur Mineralogie, Monatshefte 1985 (1985) 7–18; doi:

data_9009320
_publ_section_title
;
 The crystal structure of janhaugite, a sorosilicate of the cuspidine family
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              7
_journal_page_last               18
_journal_volume                  1985
_journal_year                    1985
_chemical_formula_sum            'Ca0.69 F2 Mn3 Na2.31 O16 Si4 Ti1.4 Zr0.6'
_chemical_name_mineral           Janhaugite
_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                 107.82
_cell_angle_gamma                90
_cell_length_a                   10.668
_cell_length_b                   9.787
_cell_length_c                   13.931
_cell_formula_units_Z            4
_cell_volume                     1384.721
_database_code_amcsd             0014794
_exptl_crystal_density_diffrn    3.711
_cod_original_formula_sum        '(Na2.31 Ca.69) Mn3 (Ti1.4 Zr.6) Si4 O16 F2'
_cod_database_code               9009320
Refinement of the crystal structure of lindgrenite
Hawthorne, F. C.; Eby, R. K.; Neues Jahrbuch fur Mineralogie, Monatshefte 1985 (1985) 234–240; doi:

data_9009321
_publ_section_title
;
 Refinement of the crystal structure of lindgrenite
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              234
_journal_page_last               240
_journal_volume                  1985
_journal_year                    1985
_chemical_compound_source        'Chuquicamata, Chile'
_chemical_formula_sum            'Cu3 H2 Mo2 O10'
_chemical_name_mineral           Lindgrenite
_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                 98.50
_cell_angle_gamma                90
_cell_length_a                   5.394
_cell_length_b                   14.023
_cell_length_c                   5.608
_cell_formula_units_Z            2
_cell_volume                     419.530
_database_code_amcsd             0014795
_exptl_crystal_density_diffrn    4.311
_cod_original_formula_sum        'Cu3 Mo2 O10 H2'
_cod_database_code               9009321
The crystal structure of panunzite (natural tetrakalsilite) Note: x(O7) and y(O11) adjusted to match reported bond lengths
Merlino, S.; Franco, E.; Mattia, C. A.; Pasero, M.; De Gennaro, M.; Neues Jahrbuch fur Mineralogie, Monatshefte 1985 (1985) 322–328; doi:

data_9009322
_publ_section_title
;
 The crystal structure of panunzite (natural tetrakalsilite)
 Note: x(O7) and y(O11) adjusted to match reported bond lengths
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              322
_journal_page_last               328
_journal_volume                  1985
_journal_year                    1985
_chemical_compound_source        'Somma-Vesuvius area, Italy'
_chemical_formula_sum            'Al16 K11.47 Na4.53 O64 Si16'
_chemical_name_mineral           Panunzite
_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_length_a                   20.4960
_cell_length_b                   20.4960
_cell_length_c                   8.549
_cell_formula_units_Z            2
_cell_volume                     3110.170
_database_code_amcsd             0014796
_exptl_crystal_density_diffrn    2.624
_cod_original_formula_sum        'Na4.53 K11.47 Al16 Si16 O64'
_cod_database_code               9009322
Likasite, Cu3(OH)5(NO3)*2(H2O): Revision of the chemical formula and redetermination of the crystal structure
Effenberger, H.; Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 101–110; doi:

data_9009323
_publ_section_title
;
 Likasite, Cu3(OH)5(NO3)*2(H2O): Revision of the chemical formula and
 redetermination of the crystal structure
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              101
_journal_page_last               110
_journal_volume                  1986
_journal_year                    1986
_chemical_compound_source        'Likasi Mine, Zaire'
_chemical_formula_sum            'Cu3 H9 N O10'
_chemical_name_mineral           Likasite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.830
_cell_length_b                   6.775
_cell_length_c                   21.711
_cell_volume                     857.547
_database_code_amcsd             0014798
_exptl_crystal_density_diffrn    2.895
_cod_original_formula_sum        'Cu3 N O10 H9'
_cod_database_code               9009323
The detailed crystal structure of nordenskioeldine, CaSn(BO3)2
Effenberger, H.; Zemann, J.; Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 111–114; doi:

data_9009324
_publ_section_title
;
 The detailed crystal structure of nordenskioeldine, CaSn(BO3)2
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              111
_journal_page_last               114
_journal_volume                  1986
_journal_year                    1986
_chemical_compound_source        'Stiepelman mine, SW Africa'
_chemical_formula_sum            'B2 Ca O6 Sn'
_chemical_name_mineral           Nordenskioldine
_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                   4.858
_cell_length_b                   4.858
_cell_length_c                   16.0800
_cell_formula_units_Z            3
_cell_volume                     328.649
_database_code_amcsd             0014799
_exptl_crystal_density_diffrn    4.190
_cod_original_cell_volume        328.648
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ca Sn B2 O6'
_cod_database_code               9009324
Contribution to the superstructure resolution of the double layer mineral motukoreaite
Rius, J.; Plana, F.; Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 263–272; doi:

data_9009325
_publ_section_title
;
 Contribution to the superstructure resolution of the double layer
 mineral motukoreaite
;
_journal_coden_ASTM              NJMMAW
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              263
_journal_page_last               272
_journal_volume                  1986
_journal_year                    1986
_chemical_compound_source
;
 the Emile Baudot bank, western Mediterranean
;
_chemical_formula_sum            'Al3 H30 Mg6 Na0.667 O33.333 S1.333'
_chemical_name_mineral           Motukoreaite
_space_group_IT_number           166
_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_formula_units_Z            3
_cell_length_a                   9.172
_cell_length_b                   9.172
_cell_length_c                   33.51
_cell_volume                     2441.367
_exptl_crystal_density_diffrn    1.731
_cod_duplicate_entry             1100006
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Al3 Mg6 Na.667 S1.333 O33.333 H30'
_cod_database_code               9009325
The crystal structure of heneuite, CaMg5(CO3)(PO4)3(OH)
Romming, C.; Raade, G.; Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 351–359; doi:

data_9009326
_publ_section_title
;
 The crystal structure of heneuite, CaMg5(CO3)(PO4)3(OH)
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              351
_journal_page_last               359
_journal_volume                  1986
_journal_year                    1986
_chemical_compound_source
'Tingelstadtjern serpentine-magnesite deposit, Modum, Norway'
_chemical_formula_sum            'C H Ca Mg5 O16 P3'
_chemical_name_mineral           Heneuite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.01
_cell_angle_beta                 93.41
_cell_angle_gamma                101.04
_cell_length_a                   6.311
_cell_length_b                   10.843
_cell_length_c                   8.676
_cell_formula_units_Z            2
_cell_volume                     578.721
_database_code_amcsd             0014802
_exptl_crystal_density_diffrn    3.004
_cod_original_formula_sum        'Ca Mg5 P3 O16 C H'
_cod_database_code               9009326
Synthetic swartzite, CaMg[UO2(CO3)3]*12H2O, and its strontium analogue, SrMg[UO2(CO3)3]*12H2O: Crystallography and crystal structures
Mereiter, K.; Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 481–492; doi:

data_9009327
_publ_section_title
;
 Synthetic swartzite, CaMg[UO2(CO3)3]*12H2O, and its strontium analogue,
 SrMg[UO2(CO3)3]*12H2O: Crystallography and crystal structures
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              481
_journal_page_last               492
_journal_volume                  1986
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C3 H24 Ca Mg O23 U'
_chemical_name_mineral           Swartzite
_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                 99.43
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.080
_cell_length_b                   14.634
_cell_length_c                   6.439
_cell_volume                     1029.941
_database_code_amcsd             0014803
_exptl_crystal_density_diffrn    2.356
_cod_original_formula_sum        'Ca Mg U C3 O23 H24'
_cod_database_code               9009327
Synthetic swartzite, CaMg[UO2(CO3)3]*12H2O, and its strontium analogue, SrMg[UO2(CO3)3]*12H2O: Crystallography and crystal structures
Mereiter, K.; Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 481–492; doi:

data_9009328
_publ_section_title
;
 Synthetic swartzite, CaMg[UO2(CO3)3]*12H2O, and its strontium analogue,
 SrMg[UO2(CO3)3]*12H2O: Crystallography and crystal structures
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              481
_journal_page_last               492
_journal_volume                  1986
_journal_year                    1986
_chemical_formula_structural     SrMg[UO2(CO3)3]*12H2O
_chemical_formula_sum            'C3 H24 Mg O23 Sr U'
_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                 99.48
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.216
_cell_length_b                   14.739
_cell_length_c                   6.484
_cell_volume                     1057.248
_database_code_amcsd             0014804
_exptl_crystal_density_diffrn    2.444
_cod_original_formula_sum        'Sr Mg U C3 O23 H24'
_cod_database_code               9009328
_amcsd_formula_title             SrMg[UO2(CO3)3]*12H2O
The crystal structure of franciscanite, Mn3(Vx_1-x)(SiO4)(O,OH)3,(x ~ 0.5) California, USA
Pertlik, F.; Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 493–499; doi:

data_9009329
_publ_section_title
;
 The crystal structure of franciscanite, Mn3(Vx_1-x)(SiO4)(O,OH)3,(x ~ 0.5)
 California, USA
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              493
_journal_page_last               499
_journal_volume                  1986
_journal_year                    1986
_chemical_compound_source
'Franciscan Complex, Pennsylvania mine, Santa Clara County,'
_chemical_formula_sum            'H3 Mn3 O7 Si V0.5'
_chemical_name_mineral           Franciscanite
_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_formula_units_Z            2
_cell_length_a                   8.1518
_cell_length_b                   8.1518
_cell_length_c                   4.8091
_cell_volume                     276.759
_database_code_amcsd             0014805
_exptl_crystal_density_diffrn    4.001
_cod_original_formula_sum        'Mn3 V.5 Si O7 H3'
_cod_database_code               9009329
The crystal chemistry of the benitoite group minerals and structural relations in (Si3O9) ring structures Sample: "occurs in small fractures and as scattered grains in recrystallized siliceous limestone at Santa Cruz, Ca"
Hawthorne, F. C.; Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 16–30; doi:

data_9009330
_publ_section_title
;
 The crystal chemistry of the benitoite group minerals and
 structural relations in (Si3O9) ring structures
 Sample: "occurs in small fractures and as scattered grains in
 recrystallized siliceous limestone at Santa Cruz, Ca"
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              16
_journal_page_last               30
_journal_volume                  1987
_journal_year                    1987
_chemical_formula_sum            'Ba O9 Si3 Sn0.77 Ti0.23'
_chemical_name_mineral           Pabstite
_space_group_IT_number           188
_symmetry_space_group_name_Hall  'P -6c 2'
_symmetry_space_group_name_H-M   'P -6 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.7037
_cell_length_b                   6.7037
_cell_length_c                   9.824
_cell_formula_units_Z            2
_cell_volume                     382.339
_database_code_amcsd             0014808
_exptl_crystal_density_diffrn    4.065
_cod_original_formula_sum        'Ba (Sn.77 Ti.23) Si3 O9'
_cod_database_code               9009330
The crystal chemistry of the benitoite group minerals and structural relations in (Si3O9) ring structures Sample: "late-stage interstitial mineral in aegirine-riebeckite granite", Rockall Island, Scotland
Hawthorne, F. C.; Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 16–30; doi:

data_9009331
_publ_section_title
;
 The crystal chemistry of the benitoite group minerals and
 structural relations in (Si3O9) ring structures
 Sample: "late-stage interstitial mineral in aegirine-riebeckite granite",
 Rockall Island, Scotland
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              16
_journal_page_last               30
_journal_volume                  1987
_journal_year                    1987
_chemical_formula_sum            'Ba O9 Si3 Ti0.03 Zr0.97'
_chemical_name_mineral           Bazirite
_space_group_IT_number           188
_symmetry_space_group_name_Hall  'P -6c 2'
_symmetry_space_group_name_H-M   'P -6 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.742
_cell_length_b                   6.742
_cell_length_c                   9.930
_cell_formula_units_Z            2
_cell_volume                     390.893
_database_code_amcsd             0014809
_exptl_crystal_density_diffrn    3.870
_cod_original_formula_sum        'Ba (Zr.97 Ti.03) Si3 O9'
_cod_database_code               9009331
Corkite, PbFe3(SO4)(PO4)(OH)6, its crystal structure and ordered arrangement of the tetrahedral cations Note: this is the prefered structure of these authors
Giuseppe, G.; Tadini, C.; Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 71–81; doi:

data_9009332
_publ_section_title
;
 Corkite, PbFe3(SO4)(PO4)(OH)6, its crystal structure and ordered
 arrangement of the tetrahedral cations
 Note: this is the prefered structure of these authors
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              71
_journal_page_last               81
_journal_volume                  1987
_journal_year                    1987
_chemical_compound_source        'Dernbach, Hessen-Nassau, Germany'
_chemical_formula_sum            'Fe3 H6 O14 P Pb S'
_chemical_name_mineral           Corkite
_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_formula_units_Z            3
_cell_length_a                   7.280
_cell_length_b                   7.280
_cell_length_c                   16.821
_cell_volume                     772.050
_database_code_amcsd             0014810
_exptl_crystal_density_diffrn    4.309
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Pb Fe3 S P O14 H6'
_cod_database_code               9009332
Corkite, PbFe3(SO4)(PO4)(OH)6, its crystal structure and ordered arrangement of the tetrahedral cations Note: this is not the prefered structure of these authors
Giuseppe, G.; Tadini, C.; Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 71–81; doi:

data_9009333
_publ_section_title
;
 Corkite, PbFe3(SO4)(PO4)(OH)6, its crystal structure and ordered
 arrangement of the tetrahedral cations
 Note: this is not the prefered structure of these authors
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              71
_journal_page_last               81
_journal_volume                  1987
_journal_year                    1987
_chemical_compound_source        'Dernbach, Hessen-Nassau, Germany'
_chemical_formula_sum            'Fe3 H6 O14 P Pb S'
_chemical_name_mineral           Corkite
_space_group_IT_number           166
_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_formula_units_Z            3
_cell_length_a                   7.280
_cell_length_b                   7.280
_cell_length_c                   16.821
_cell_volume                     772.050
_database_code_amcsd             0014811
_exptl_crystal_density_diffrn    4.309
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb Fe3 (S P) O14 H6'
_cod_database_code               9009333