LMucko/crystallography-open-database huggingface dataset:
Ba6 Ge25: low-temperature Ge-Ge bond breaking during temperature-induced structure transformation
Carillo-Cabrera, W.; Grin', Yu.; Borrmann, H.; Baenitz, M.; Paschen, S.; Steglich, F.; Journal of Solid State Chemistry 178 (2005) 715–728; doi:

data_1535840
_publ_section_title
;
 Ba6 Ge25: low-temperature Ge-Ge bond breaking during temperature-induced
 structure transformation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              715
_journal_page_last               728
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Ba6 Ge25'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5502
_cell_length_b                   14.5502
_cell_length_c                   14.5502
_cell_volume                     3080.398
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Carillo-Cabrera_JSSCBI_2005_1769.cif
_cod_data_source_block           Ba6Ge25
_cod_original_cell_volume        3080.399
_cod_database_code               1535840
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Irran, E.; Juergens, B.; Schnick, W.; Chemistry - A European Journal 7 (2001) 5372–5381; doi:

data_1535841
_publ_section_title
;
 Trimerization of alkali dicyanamides M (N (C N)2) and formation of
 tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure
 determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2),
 and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              5372
_journal_page_last               5381
_journal_volume                  7
_journal_year                    2001
_chemical_formula_sum            'C2 K N3'
_chemical_name_systematic        'K (N (C N)2)'
_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_formula_units_Z            4
_cell_length_a                   8.55404
_cell_length_b                   3.87802
_cell_length_c                   12.5273
_cell_volume                     415.565
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Irran_CEUJED_2001_259.cif
_cod_data_source_block           C2K1N3
_cod_original_cell_volume        415.5648
_cod_original_formula_sum        'C2 K1 N3'
_cod_database_code               1535841
Neutronenbeugung an drei Modifikationen des Kaliumdeuteroamids K N D2
Nagib, M.; von Osten, E.; Jacobs, H.; Atomkernenergie 29 (1977) 41–47; doi:

data_1535842
_publ_section_title
;
 Neutronenbeugung an drei Modifikationen des Kaliumdeuteroamids K N D2
;
_journal_name_full               Atomkernenergie
_journal_page_first              41
_journal_page_last               47
_journal_volume                  29
_journal_year                    1977
_chemical_formula_sum            'D2 K N'
_chemical_name_systematic        'K (N D2)'
_space_group_IT_number           81
_symmetry_space_group_name_Hall  'P -4'
_symmetry_space_group_name_H-M   'P -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.282
_cell_length_b                   4.282
_cell_length_c                   6.182
_cell_volume                     113.350
_citation_journal_id_ASTM        ATKEAR
_cod_data_source_file            Nagib_ATKEAR_1977_369.cif
_cod_data_source_block           D2K1N1
_cod_original_cell_volume        113.3502
_cod_original_formula_sum        'D2 K1 N1'
_cod_database_code               1535842
Preparation and Properties of Pyrite - Type Si P2 and Si As2
Donohue, P.C.; Siemons, W.J.; Gillson, J.L.; Journal of Physics and Chemistry of Solids 29 (1968) 807–813; doi:

data_1535843
_publ_section_title
;
 Preparation and Properties of Pyrite - Type Si P2 and Si As2
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              807
_journal_page_last               813
_journal_volume                  29
_journal_year                    1968
_chemical_formula_sum            'As2 Si'
_chemical_name_systematic        'Si As2'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0232
_cell_length_b                   6.0232
_cell_length_c                   6.0232
_cell_volume                     218.515
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Donohue_JPCSAW_1968_285.cif
_cod_data_source_block           As2Si1
_cod_original_cell_volume        218.5153
_cod_original_formula_sum        'As2 Si1'
_cod_database_code               1535843
X-ray investigation of sequential phase transitions in potassium pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal structure.
Udovenko, A.A.; Eiberman, M.F.; Davidovich, R.L.; Kristallografiya 37 (1992) 735–752; doi:

data_1535844
_publ_section_title
;
 X-ray investigation of sequential phase transitions in potassium
 pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal
 structure.
;
_journal_name_full               Kristallografiya
_journal_page_first              735
_journal_page_last               752
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'F5 K2 Sb'
_chemical_name_systematic        'K2 (Sb F5)'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                79.74
_cell_formula_units_Z            22
_cell_length_a                   16.99
_cell_length_b                   27.719
_cell_length_c                   6.493
_cell_volume                     3008.955
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Udovenko_KRISAJ_1992_1300.cif
_cod_data_source_block           F5K2Sb1
_cod_original_sg_symbol_Hall     'P 2yb (z,x,y)'
_cod_original_formula_sum        'F5 K2 Sb1'
_cod_database_code               1535844
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Irran, E.; Juergens, B.; Schnick, W.; Chemistry - A European Journal 7 (2001) 5372–5381; doi:

data_1535845
_publ_section_title
;
 Trimerization of alkali dicyanamides M (N (C N)2) and formation of
 tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure
 determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2),
 and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              5372
_journal_page_last               5381
_journal_volume                  7
_journal_year                    2001
_chemical_formula_sum            'C6 K3 N9'
_chemical_name_systematic        'K3 ((C3 N6) (C N)3)'
_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                 101.406
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.73823
_cell_length_b                   11.9248
_cell_length_c                   25.0044
_cell_volume                     1092.624
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Irran_CEUJED_2001_260.cif
_cod_data_source_block           C6K3N9
_cod_database_code               1535845
Neutronenbeugung an drei Modifikationen des Kaliumdeuteroamids K N D2
Nagib, M.; von Osten, E.; Jacobs, H.; Atomkernenergie 29 (1977) 303–304; doi:

data_1535846
_publ_section_title
;
 Neutronenbeugung an drei Modifikationen des Kaliumdeuteroamids K N D2
;
_journal_name_full               Atomkernenergie
_journal_page_first              303
_journal_page_last               304
_journal_volume                  29
_journal_year                    1977
_chemical_formula_sum            'D2 K N'
_chemical_name_systematic        'K (N D2)'
_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                 95.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.55
_cell_length_b                   3.76
_cell_length_c                   6.2
_cell_volume                     105.650
_citation_journal_id_ASTM        ATKEAR
_cod_data_source_file            Nagib_ATKEAR_1977_395.cif
_cod_data_source_block           D2K1N1
_cod_original_cell_volume        105.6497
_cod_original_formula_sum        'D2 K1 N1'
_cod_database_code               1535846
Crystal and molecular structures of aquahalogenovanadium (III) complexes. Part I. X-ray crystal structure of trans-tetrakis-aquadibromovanadium(III) bromide dihydrate and the isomorphous chloro-compound
Donovan, W.F.; Smith, P.W.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1975 (1975) 894–896; doi:

data_4031606
_publ_section_title
;
 Crystal and molecular structures of aquahalogenovanadium (III) complexes.
 Part I. X-ray crystal structure of
 trans-tetrakis-aquadibromovanadium(III) bromide dihydrate and the
 isomorphous chloro-compound
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              894
_journal_page_last               896
_journal_volume                  1975
_journal_year                    1975
_chemical_formula_sum            'Br3 H12 O6 V'
_chemical_name_systematic        '((H2 O)4 Br2 V) Br (H2 O)2'
_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                 96.15
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.408
_cell_length_b                   6.55
_cell_length_c                   12.3
_cell_volume                     513.289
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Donovan_JCDTBI_1975_1810.cif
_cod_data_source_block           H12Br3O6V1
_cod_original_cell_volume        513.2894
_cod_original_formula_sum        'H12 Br3 O6 V1'
_cod_database_code               4031606
X-ray investigation of sequential phase transitions in potassium pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal structure.
Udovenko, A.A.; Eiberman, M.F.; Davidovich, R.L.; Kristallografiya 37 (1992) 735–752; doi:

data_1535847
_publ_section_title
;
 X-ray investigation of sequential phase transitions in potassium
 pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal
 structure.
;
_journal_name_full               Kristallografiya
_journal_page_first              735
_journal_page_last               752
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'F5 K2 Sb'
_chemical_name_systematic        'K2 (Sb F5)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                91.48
_cell_formula_units_Z            12
_cell_length_a                   17.012
_cell_length_b                   14.895
_cell_length_c                   6.483
_cell_volume                     1642.204
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Udovenko_KRISAJ_1992_1301.cif
_cod_data_source_block           F5K2Sb1
_cod_original_cell_volume        1642.203
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'F5 K2 Sb1'
_cod_database_code               1535847
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Irran, E.; Juergens, B.; Schnick, W.; Chemistry - A European Journal 7 (2001) 5372–5381; doi:

data_1535848
_publ_section_title
;
 Trimerization of alkali dicyanamides M (N (C N)2) and formation of
 tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure
 determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2),
 and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              5372
_journal_page_last               5381
_journal_volume                  7
_journal_year                    2001
_chemical_formula_sum            'C2 N3 Rb'
_chemical_name_systematic        'Rb (N (C N)2)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.56092
_cell_length_b                   6.61711
_cell_length_c                   7.65067
_cell_volume                     433.399
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Irran_CEUJED_2001_261.cif
_cod_data_source_block           C2N3Rb1
_cod_original_cell_volume        433.3993
_cod_original_formula_sum        'C2 N3 Rb1'
_cod_database_code               1535848
Neutronenbeugung am Strontiumdeuteroamid, Sr N D2, bei Temperaturen von 31 bis 570 K
Nagib, M.; Jacobs, H.; Kistrup, H.; Atomkernenergie 33 (1979) 38–42; doi:

data_1535849
_publ_section_title
;
 Neutronenbeugung am Strontiumdeuteroamid, Sr N D2, bei Temperaturen von
 31 bis 570 K
;
_journal_name_full               Atomkernenergie
_journal_page_first              38
_journal_page_last               42
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'D4 N2 Sr'
_chemical_name_systematic        'Sr (N D2)2'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.451
_cell_length_b                   5.451
_cell_length_c                   10.91
_cell_volume                     324.173
_citation_journal_id_ASTM        ATKEAR
_cod_data_source_file            Nagib_ATKEAR_1979_368.cif
_cod_data_source_block           D4N2Sr1
_cod_original_cell_volume        324.1732
_cod_original_sg_symbol_Hall     '-I 4bd 2 (x+1/2,y+1/4,z+1/8)'
_cod_original_formula_sum        'D4 N2 Sr1'
_cod_database_code               1535849
Crystal and Molecular Structures of Aquahalogenovanadium (III) Complexes. Part I. X-Ray Crystal Structure of trans-Tetrakis-aquadibromovanadium(III) Bromide Dihydrate and the Isomorphous Chloro-compound
Donovan, W.F.; Smith, P.W.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1975 (1975) 894–896; doi:

data_4031607
_publ_section_title
;
 Crystal and Molecular Structures of Aquahalogenovanadium (III) Complexes.
 Part I. X-Ray Crystal Structure of
 trans-Tetrakis-aquadibromovanadium(III) Bromide Dihydrate and the
 Isomorphous Chloro-compound
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              894
_journal_page_last               896
_journal_volume                  1975
_journal_year                    1975
_chemical_formula_sum            'Cl3 H12 O6 V'
_chemical_name_systematic        '(V Cl2 (H2 O)4) Cl (H2 O)2'
_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                 98.8
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.43
_cell_length_b                   6.439
_cell_length_c                   11.901
_cell_volume                     486.934
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Donovan_JCDTBI_1975_1811.cif
_cod_data_source_block           H12Cl3O6V1
_cod_original_cell_volume        486.9341
_cod_original_formula_sum        'H12 Cl3 O6 V1'
_cod_database_code               4031607
X-ray investigation of sequential phase transitions in potassium pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal structure.
Udovenko, A.A.; Eiberman, M.F.; Davidovich, R.L.; Kristallografiya 37 (1992) 735–752; doi:

data_1535850
_publ_section_title
;
 X-ray investigation of sequential phase transitions in potassium
 pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal
 structure.
;
_journal_name_full               Kristallografiya
_journal_page_first              735
_journal_page_last               752
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'F5 K2 Sb'
_chemical_name_systematic        'K2 (Sb F5)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ac'
_symmetry_space_group_name_H-M   'P 1 1 21/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                64.73
_cell_formula_units_Z            4
_cell_length_a                   12.539
_cell_length_b                   7.493
_cell_length_c                   6.463
_cell_volume                     549.121
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Udovenko_KRISAJ_1992_1302.cif
_cod_data_source_block           F5K2Sb1
_cod_original_cell_volume        549.1213
_cod_original_sg_symbol_Hall     '-P 2ybc (z,x,y)'
_cod_original_formula_sum        'F5 K2 Sb1'
_cod_database_code               1535850
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Irran, E.; Juergens, B.; Schnick, W.; Chemistry - A European Journal 7 (2001) 5372–5381; doi:

data_1535851
_publ_section_title
;
 Trimerization of alkali dicyanamides M (N (C N)2) and formation of
 tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure
 determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2),
 and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              5372
_journal_page_last               5381
_journal_volume                  7
_journal_year                    2001
_chemical_formula_sum            'C2 N3 Rb'
_chemical_name_systematic        'Rb (N (C N)2)'
_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                 116.8963
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.8156
_cell_length_b                   10.00018
_cell_length_c                   14.43275
_cell_volume                     1778.309
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Irran_CEUJED_2001_262.cif
_cod_data_source_block           C2N3Rb1
_cod_original_formula_sum        'C2 N3 Rb1'
_cod_database_code               1535851
Neutronenbeugung am Strontiumdeuteroamid, Sr N D2, bei Temperaturen von 31 bis 570 K
Nagib, M.; Kistrup, H.; Jacobs, H.; Atomkernenergie 33 (1979) 38–42; doi:

data_1535852
_publ_section_title
;
 Neutronenbeugung am Strontiumdeuteroamid, Sr N D2, bei Temperaturen von
 31 bis 570 K
;
_journal_name_full               Atomkernenergie
_journal_page_first              38
_journal_page_last               42
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'H4 N2 Sr'
_chemical_name_systematic        'Sr (N H2)2'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.451
_cell_length_b                   5.451
_cell_length_c                   10.91
_cell_volume                     324.173
_citation_journal_id_ASTM        ATKEAR
_cod_data_source_file            Nagib_ATKEAR_1979_396.cif
_cod_data_source_block           H4N2Sr1
_cod_original_cell_volume        324.1732
_cod_original_formula_sum        'H4 N2 Sr1'
_cod_database_code               1535852
Phosphonitrilic Derivates. Part X. The Crystal Structure of Trimeric Phosphonitrilic Fluoride
Dougill, M.W.; Journal of the Chemical Society 1963 (1963) 3211–3217; doi:

data_1535853
_publ_section_title
;
 Phosphonitrilic Derivates. Part X. The Crystal Structure of Trimeric
 Phosphonitrilic Fluoride
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              3211
_journal_page_last               3217
_journal_volume                  1963
_journal_year                    1963
_chemical_formula_sum            'F6 N3 P3'
_chemical_name_systematic        '(P N F2)3'
_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_formula_units_Z            4
_cell_length_a                   6.948
_cell_length_b                   12.19
_cell_length_c                   8.723
_cell_volume                     738.804
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Dougill_JCSOA9_1963_1482.cif
_cod_data_source_block           F6N3P3
_cod_original_cell_volume        738.8042
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