LMucko/crystallography-open-database huggingface dataset:
A Rietveld analysis of the crystal structure of ammonioleucite
Yamada, M.; Miyawaki, R.; Nakai, I.; Izumi, F.; Nagashima, K.; Mineralogical Journal 20 (1998) 105–112; doi:10.2465/minerj.20.105

data_9009732
_publ_section_title
;
 A Rietveld analysis of the crystal structure of ammonioleucite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              105
_journal_page_last               112
_journal_paper_doi               10.2465/minerj.20.105
_journal_volume                  20
_journal_year                    1998
_chemical_formula_sum            'Al0.89 K0.34 N0.53 O6 Si2.11'
_chemical_name_mineral           Ammonioleucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.2106
_cell_length_b                   13.2106
_cell_length_c                   13.7210
_cell_volume                     2394.588
_database_code_amcsd             0014433
_exptl_crystal_density_diffrn    2.219
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'N.53 K.34 Al.89 Si2.11 O6'
_cod_database_code               9009732
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009733
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_sum            'Cl K'
_chemical_name_mineral           Sylvite
_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                   6.2788
_cell_length_b                   6.2788
_cell_length_c                   6.2788
_cell_formula_units_Z            4
_cell_volume                     247.531
_database_code_amcsd             0011994
_exptl_crystal_density_diffrn    2.000
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K Cl'
_cod_database_code               9009733
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009734
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     KBr
_chemical_formula_sum            'Br K'
_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                   6.5847
_cell_length_b                   6.5847
_cell_length_c                   6.5847
_cell_formula_units_Z            4
_cell_volume                     285.501
_database_code_amcsd             0011995
_exptl_crystal_density_diffrn    2.769
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K Br'
_cod_database_code               9009734
_amcsd_formula_title             KBr
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009735
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     KI
_chemical_formula_sum            'I K'
_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                   7.0491
_cell_length_b                   7.0491
_cell_length_c                   7.0491
_cell_formula_units_Z            4
_cell_volume                     350.268
_database_code_amcsd             0011996
_exptl_crystal_density_diffrn    3.148
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K I'
_cod_database_code               9009735
_amcsd_formula_title             KI
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009736
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     RbCl
_chemical_formula_sum            'Cl Rb'
_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                   6.5790
_cell_length_b                   6.5790
_cell_length_c                   6.5790
_cell_formula_units_Z            4
_cell_volume                     284.760
_database_code_amcsd             0011997
_exptl_crystal_density_diffrn    2.821
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Rb Cl'
_cod_database_code               9009736
_amcsd_formula_title             RbCl
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009737
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     RbBr
_chemical_formula_sum            'Br Rb'
_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                   6.8768
_cell_length_b                   6.8768
_cell_length_c                   6.8768
_cell_formula_units_Z            4
_cell_volume                     325.206
_database_code_amcsd             0011998
_exptl_crystal_density_diffrn    3.378
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Rb Br'
_cod_database_code               9009737
_amcsd_formula_title             RbBr
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009738
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     RbI
_chemical_formula_sum            'I Rb'
_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                   7.3291
_cell_length_b                   7.3291
_cell_length_c                   7.3291
_cell_formula_units_Z            4
_cell_volume                     393.688
_database_code_amcsd             0011999
_exptl_crystal_density_diffrn    3.583
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Rb I'
_cod_database_code               9009738
_amcsd_formula_title             RbI
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009739
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     Rb(Br.4I.6)
_chemical_formula_sum            'Br0.4 I0.6 Rb'
_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                   7.1560
_cell_length_b                   7.1560
_cell_length_c                   7.1560
_cell_formula_units_Z            4
_cell_volume                     366.447
_database_code_amcsd             0012000
_exptl_crystal_density_diffrn    3.509
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Rb (Br.4 I.6)'
_cod_database_code               9009739
_amcsd_formula_title             Rb(Br.4I.6)
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009740
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     Rb(Cl.6Br.4)
_chemical_formula_sum            'Br0.4 Cl0.6 Rb'
_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                   6.7149
_cell_length_b                   6.7149
_cell_length_c                   6.7149
_cell_formula_units_Z            4
_cell_volume                     302.774
_database_code_amcsd             0012001
_exptl_crystal_density_diffrn    3.043
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Rb (Cl.6 Br.4)'
_cod_database_code               9009740
_amcsd_formula_title             Rb(Cl.6Br.4)
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009741
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     (K.3Rb.7)Cl
_chemical_formula_sum            'Cl K0.3 Rb0.7'
_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                   6.4958
_cell_length_b                   6.4958
_cell_length_c                   6.4958
_cell_formula_units_Z            4
_cell_volume                     274.093
_database_code_amcsd             0012002
_exptl_crystal_density_diffrn    2.593
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Rb.7 K.3) Cl'
_cod_database_code               9009741
_amcsd_formula_title             (K.3Rb.7)Cl
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009742
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     K(Br.4I.6)
_chemical_formula_sum            'Br0.4 I0.6 K'
_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                   6.8717
_cell_length_b                   6.8717
_cell_length_c                   6.8717
_cell_formula_units_Z            4
_cell_volume                     324.483
_database_code_amcsd             0012003
_exptl_crystal_density_diffrn    3.013
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K (Br.4 I.6)'
_cod_database_code               9009742
_amcsd_formula_title             K(Br.4I.6)
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009743
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     CsCl
_chemical_formula_sum            'Cl Cs'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.1150
_cell_length_b                   4.1150
_cell_length_c                   4.1150
_cell_volume                     69.680
_database_code_amcsd             0012004
_exptl_crystal_density_diffrn    4.012
_cod_original_sg_symbol_H-M      'P m 3 m'
_cod_original_formula_sum        'Cs Cl'
_cod_database_code               9009743
_amcsd_formula_title             CsCl
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009744
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     CsBr
_chemical_formula_sum            'Br Cs'
_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                   4.2812
_cell_length_b                   4.2812
_cell_length_c                   4.2812
_cell_formula_units_Z            4
_cell_volume                     78.469
_database_code_amcsd             0012005
_exptl_crystal_density_diffrn    18.014
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Cs Br'
_cod_database_code               9009744
_amcsd_formula_title             CsBr
Lattice constants of some binary alkali halide solid solutions.
Ahtee, M.; Annales Academiae Scientiarum Fennicae Series A6: Physica 313 (1969) 1–11; doi:

data_9009745
_publ_section_title
;
 Lattice constants of some binary alkali halide solid solutions.
;
_journal_name_full
'Annales Academiae Scientiarum Fennicae Series A6: Physica'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  313
_journal_year                    1969
_chemical_formula_structural     Cs(Cl.4Br.6)
_chemical_formula_sum            'Br0.6 Cl0.4 Cs'
_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                   4.2228
_cell_length_b                   4.2228
_cell_length_c                   4.2228
_cell_formula_units_Z            4
_cell_volume                     75.301
_database_code_amcsd             0012006
_exptl_crystal_density_diffrn    17.203
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Cs (Cl.4 Br.6)'
_cod_database_code               9009745
_amcsd_formula_title             Cs(Cl.4Br.6)
Crystal structure of alpha-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy Note: z-coordinate of V1 changed as directed by the author, Aug 2005.
Nielsen, U. G.; Jakobsen, H. J.; Skibsted, J.; Norby, P.; Dalton Transactions 2001 (2001) 3214–3218; doi:

data_9009746
_publ_section_title
;
 Crystal structure of alpha-Mg2V2O7 from synchrotron X-ray powder
 diffraction and characterization by 51V MAS NMR spectroscopy
 Note: z-coordinate of V1 changed as directed by the author, Aug 2005.
;
_journal_name_full               'Dalton Transactions'
_journal_page_first              3214
_journal_page_last               3218
_journal_volume                  2001
_journal_year                    2001
_chemical_formula_structural     Mg2V2O7
_chemical_formula_sum            'Mg2 O7 V2'
_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                 100.6085
_cell_angle_gamma                90
_cell_length_a                   6.599
_cell_length_b                   8.406
_cell_length_c                   9.472
_cell_formula_units_Z            4
_cell_volume                     516.443
_exptl_crystal_density_diffrn    3.376
_cod_original_formula_sum        'Mg2 V2 O7'
_cod_database_code               9009746
Charge density analysis of two polymorphs of antimony(III) oxide
Whitten, A. E.; Dittrich, B.; Spackman, M. A.; Turner, P.; Brown, T. C.; Dalton Transactions 2004 (2004) 23–29; doi:

data_9009747
_publ_section_title
;
 Charge density analysis of two polymorphs of antimony(III) oxide
;
_journal_name_full               'Dalton Transactions'
_journal_page_first              23
_journal_page_last               29
_journal_volume                  2004
_journal_year                    2004
_chemical_formula_sum            'O3 Sb2'
_chemical_name_mineral           Senarmontite
_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                   11.1160
_cell_length_b                   11.1160
_cell_length_c                   11.1160
_cell_formula_units_Z            16
_cell_volume                     1373.554
_database_code_amcsd             0012430
_exptl_crystal_density_diffrn    5.638
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Sb2 O3'
_cod_database_code               9009747
Charge density analysis of two polymorphs of antimony(III) oxide
Whitten, A. E.; Dittrich, B.; Spackman, M. A.; Turner, P.; Brown, T. C.; Dalton Transactions 2004 (2004) 23–29; doi:

data_9009748
_publ_section_title
;
 Charge density analysis of two polymorphs of antimony(III) oxide
;
_journal_name_full               'Dalton Transactions'
_journal_page_first              23
_journal_page_last               29
_journal_volume                  2004
_journal_year                    2004
_chemical_formula_sum            'O3 Sb2'
_chemical_name_mineral           Valentinite
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.8996
_cell_length_b                   12.4490
_cell_length_c                   5.4103
_cell_formula_units_Z            4
_cell_volume                     330.002
_database_code_amcsd             0012431
_exptl_crystal_density_diffrn    5.867
_cod_original_formula_sum        'Sb2 O3'
_cod_database_code               9009748
Les hypovanadates de magnesium MgVO3 et MgV2O5. Structure cristalline de MgVO3
Bouloux, J. C.; Milosevic, I.; Galy, J.; Journal of Solid State Chemistry 16 (1976) 393–398; doi:10.1016/0022-4596(76)90056-6

data_9009749
_publ_section_title
;
 Les hypovanadates de magnesium MgVO3 et MgV2O5. Structure
 cristalline de MgVO3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              393
_journal_page_last               398
_journal_paper_doi               10.1016/0022-4596(76)90056-6
_journal_volume                  16
_journal_year                    1976
_chemical_formula_structural     MgVO3
_chemical_formula_sum            'Mg O3 V'
_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                   5.243
_cell_length_b                   10.028
_cell_length_c                   5.290
_cell_formula_units_Z            4
_cell_volume                     278.131
_database_code_amcsd             0013332
_exptl_crystal_density_diffrn    2.943
_cod_original_formula_sum        'Mg V O3'
_cod_database_code               9009749
_amcsd_formula_title             MgVO3
Effet Jahn-Teller et structure cristalline de l'hydroxyde CuSn(OH)6
Morgenstern-Badarau I; Journal of Solid State Chemistry 17 (1976) 399–406; doi:10.1016/S0022-4596(76)80010-2

data_9009750
_publ_section_title
;
 Effet Jahn-Teller et structure cristalline de l'hydroxyde CuSn(OH)6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              399
_journal_page_last               406
_journal_paper_doi               10.1016/S0022-4596(76)80010-2
_journal_volume                  17
_journal_year                    1976
_chemical_formula_sum            'Cu H6 O6 Sn'
_chemical_name_mineral           Mushistonite
_space_group_IT_number           134
_symmetry_space_group_name_Hall  '-P 4ac 2bc'
_symmetry_space_group_name_H-M   'P 42/n n m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.586
_cell_length_b                   7.586
_cell_length_c                   8.103
_cell_volume                     466.307
_database_code_amcsd             0013333
_exptl_crystal_density_diffrn    4.050
_cod_original_sg_symbol_H-M      'P 42/n n m'
_cod_original_formula_sum        'Cu Sn (O6 H6)'
_cod_database_code               9009750