LMucko/crystallography-open-database huggingface dataset:
Crystal structure of diammonium monoamminopentaiodo-scandat(III), (NH4)2(Sc(NH3)I5)
Simon, M.; Meyer, G.; Zeitschrift fuer Kristallographie (149,1979-) 211 (1996) 327–327; doi:

data_8103882
_publ_section_title
;
 Crystal structure of diammonium monoamminopentaiodo-scandat(III),
 (NH4)2(Sc(NH3)I5)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              327
_journal_page_last               327
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'H11 I5 N3 Sc'
_chemical_name_systematic        '(N H4)2 (Sc (N H3) I5)'
_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                   15.466
_cell_length_b                   11.697
_cell_length_c                   8.105
_cell_volume                     1466.242
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Simon_ZEKRDZ_1996_1886.cif
_cod_data_source_block           H11I5N3Sc1
_cod_original_cell_volume        1466.241
_cod_original_formula_sum        'H11 I5 N3 Sc1'
_cod_database_code               8103882
Theory of bonding in transition-metal carbides and nitrides
Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 11685–11691; doi:

data_1534910
_publ_section_title
;
 Theory of bonding in transition-metal carbides and nitrides
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              11685
_journal_page_last               11691
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            Tc
_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_formula_units_Z            4
_cell_length_a                   3.9
_cell_length_b                   3.9
_cell_length_c                   3.9
_cell_volume                     59.319
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haglund_PRBMDO_1993_1951.cif
_cod_data_source_block           Tc1
_cod_original_formula_sum        Tc1
_cod_database_code               1534910
(Bi4 Te4)(4+) - a cube-shaped, polycationic main group element cluster
Beck, J.; Schlueter, S.; Dolg, M.; Angew. Chem. Int. ed. 40 (2001) 2287–2290; doi:

data_1534911
_publ_section_title
;
 (Bi4 Te4)(4+) - a cube-shaped, polycationic main group element cluster
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              2287
_journal_page_last               2290
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Al4 Bi4 Cl16 Te4'
_chemical_name_systematic        '(Bi4 Te4) (Al Cl4)4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.2726
_cell_length_b                   12.2726
_cell_length_c                   11.4535
_cell_volume                     1725.088
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Beck_ACIEF5_2001_113.cif
_cod_data_source_block           Al4Bi4Cl16Te4
_cod_original_cell_volume        1725.089
_cod_database_code               1534911
Crystal structure of scandium oxyorthogermanate Sc2 Ge O5
Maksimov, B.A.; Gorbunov, Yu.A.; Kharitonov, Yu.A.; Belov, N.V.; Kristallografiya 19 (1974) 1081–1083; doi:

data_1534912
_publ_section_title
;
 Crystal structure of scandium oxyorthogermanate Sc2 Ge O5
;
_journal_name_full               Kristallografiya
_journal_page_first              1081
_journal_page_last               1083
_journal_volume                  19
_journal_year                    1974
_chemical_formula_sum            'Ge O5 Sc2'
_chemical_name_systematic        'Sc2 Ge O5'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-B 2b'
_space_group_name_H-M_alt        'B 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                93.5
_cell_formula_units_Z            12
_cell_length_a                   10.927
_cell_length_b                   10.656
_cell_length_c                   10.486
_cell_volume                     1218.693
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Maksimov_KRISAJ_1974_314.cif
_cod_data_source_block           Ge1O5Sc2
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-22
;
_cod_original_formula_sum        'Ge1 O5 Sc2'
_cod_database_code               1534912
Crystal structure of Na Zn (P2 O6 (O H))
Simonov, M.A.; Karpov, O.G.; Dimitrova, O.V.; Strelkova, E.E.; Kristallografiya 36 (1991) 1151–1154; doi:

data_1534913
_publ_section_title
;
 Crystal structure of Na Zn (P2 O6 (O H))
;
_journal_name_full               Kristallografiya
_journal_page_first              1151
_journal_page_last               1154
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'H Na O7 P2 Zn'
_chemical_name_systematic        'Na Zn (P O3)2 (O H)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.11
_cell_angle_beta                 92.05
_cell_angle_gamma                66.87
_cell_formula_units_Z            2
_cell_length_a                   6.505
_cell_length_b                   6.668
_cell_length_c                   6.504
_cell_volume                     257.956
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Simonov_KRISAJ_1991_1191.cif
_cod_data_source_block           H1Na1O7P2Zn1
_cod_original_cell_volume        257.9565
_cod_original_formula_sum        'H1 Na1 O7 P2 Zn1'
_cod_database_code               1534913
Theory of bonding in transition-metal carbides and nitrides
Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 11685–11691; doi:

data_1534914
_publ_section_title
;
 Theory of bonding in transition-metal carbides and nitrides
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              11685
_journal_page_last               11691
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            Ru
_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_formula_units_Z            4
_cell_length_a                   3.83
_cell_length_b                   3.83
_cell_length_c                   3.83
_cell_volume                     56.182
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haglund_PRBMDO_1993_1957.cif
_cod_data_source_block           Ru1
_cod_original_cell_volume        56.18188
_cod_original_formula_sum        Ru1
_cod_database_code               1534914
Chalkogen polycations with mononuclear divalent anions from chalkogen subhalides and tetrachlorides of Zr and Hf: synthesis and crystal structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)
Beck, J.; Schlitt, K.J.; Chemische Berichte 128 (1995) 763–766; doi:

data_1534915
_publ_section_title
;
 Chalkogen polycations with mononuclear divalent anions from chalkogen
 subhalides and tetrachlorides of Zr and Hf: synthesis and crystal
 structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              763
_journal_page_last               766
_journal_volume                  128
_journal_year                    1995
_chemical_formula_sum            'Cl6 Hf Te4'
_chemical_name_systematic        'Te4 (Hf Cl6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.93
_cell_angle_beta                 75.71
_cell_angle_gamma                84.74
_cell_formula_units_Z            1
_cell_length_a                   6.776
_cell_length_b                   6.833
_cell_length_c                   7.88
_cell_volume                     339.636
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Beck_CHBEAM_1995_1748.cif
_cod_data_source_block           Cl6Hf1Te4
_cod_original_formula_sum        'Cl6 Hf1 Te4'
_cod_database_code               1534915
Atomic structure of crystals of the superionic conductor Na4 Ti P2 O9
Maksimov, B.A.; Timofeeva, V.A.; Verin, I.A.; Klokova, N.E.; Kristallografiya 35 (1990) 847–851; doi:

data_1534916
_publ_section_title
;
 Atomic structure of crystals of the superionic conductor Na4 Ti P2 O9
;
_journal_name_full               Kristallografiya
_journal_page_first              847
_journal_page_last               851
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Na4 O9 P2 Ti'
_chemical_name_systematic        'Na4 (Ti O) (P O4)2'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.647
_cell_length_b                   14.989
_cell_length_c                   7.081
_cell_volume                     1660.727
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Maksimov_KRISAJ_1990_1016.cif
_cod_data_source_block           Na4O9P2Ti1
_cod_original_formula_sum        'Na4 O9 P2 Ti1'
_cod_database_code               1534916
Tetranuclear [Zr4 (O H)8 (H2 O)16] units in the crystal structure of Zr O I2 * 8(H2 O)
Sinram, D.; Krebs, B.; Zeitschrift fuer Kristallographie (149,1979-) 220 (2005) 166–168; doi:

data_8103883
_publ_section_title
;
 Tetranuclear [Zr4 (O H)8 (H2 O)16] units in the crystal structure of Zr O
 I2 * 8(H2 O)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              166
_journal_page_last               168
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'H16 I2 O9 Zr'
_chemical_name_systematic        '(Zr O) I2 (H2 O)8'
_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                 102.76
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.392
_cell_length_b                   37.497
_cell_length_c                   16.217
_cell_volume                     4977.055
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Sinram_ZEKRDZ_2005_1638.cif
_cod_data_source_block           H16I2O9Zr1
_cod_original_formula_sum        'H16 I2 O9 Zr1'
_cod_database_code               8103883
Theory of bonding in transition-metal carbides and nitrides
Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 11685–11691; doi:

data_1534917
_publ_section_title
;
 Theory of bonding in transition-metal carbides and nitrides
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              11685
_journal_page_last               11691
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            Rh
_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_formula_units_Z            4
_cell_length_a                   3.83
_cell_length_b                   3.83
_cell_length_c                   3.83
_cell_volume                     56.182
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haglund_PRBMDO_1993_1964.cif
_cod_data_source_block           Rh1
_cod_original_cell_volume        56.18188
_cod_original_formula_sum        Rh1
_cod_database_code               1534917
Chalkogen polycations with mononuclear divalent anions from chalkogen subhalides and tetrachlorides of Zr and Hf: synthesis and crystal structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)
Beck, J.; Schlitt, K.J.; Chemische Berichte 128 (1995) 763–766; doi:

data_1534918
_publ_section_title
;
 Chalkogen polycations with mononuclear divalent anions from chalkogen
 subhalides and tetrachlorides of Zr and Hf: synthesis and crystal
 structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              763
_journal_page_last               766
_journal_volume                  128
_journal_year                    1995
_chemical_formula_sum            'Cl6 Se4 Zr'
_chemical_name_systematic        'Se4 (Zr Cl6)'
_space_group_IT_number           138
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.896
_cell_length_b                   10.896
_cell_length_c                   10.41
_cell_volume                     1235.905
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Beck_CHBEAM_1995_1750.cif
_cod_data_source_block           Cl6Se4Zr1
_cod_original_cell_volume        1235.904
_cod_original_formula_sum        'Cl6 Se4 Zr1'
_cod_database_code               1534918
Refinement of the atomic structure of ionic conductor Na4+x Fe P2 O8+x F1-x.
Maksimov, B.A.; Klokova, N.E.; Radaev, S.F.; Simonov, V.I.; Kristallografiya 37 (1992) 1143–1151; doi:

data_1534919
_publ_section_title
;
 Refinement of the atomic structure of ionic conductor Na4+x Fe P2 O8+x
 F1-x.
;
_journal_name_full               Kristallografiya
_journal_page_first              1143
_journal_page_last               1151
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'F0.5 Fe Na4.53 O8.5 P2'
_chemical_name_systematic        'Na4.53 Fe (P O4)2 (O.5 F.5)'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.52
_cell_length_b                   14.82
_cell_length_c                   7.119
_cell_volume                     1637.416
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Maksimov_KRISAJ_1992_1286.cif
_cod_data_source_block           F0.5Fe1Na4.53O8.5P2
_cod_original_formula_sum        'F0.5 Fe1 Na4.53 O8.5 P2'
_cod_database_code               1534919
Structure of low temperature modification of Ba Nb2 O6
Sirotinkin, S.P.; Sirotinkin, V.P.; Trunov, V.K.; Zhurnal Neorganicheskoi Khimii 35 (1990) 1609–1611; doi:

data_1534920
_publ_section_title
;
 Structure of low temperature modification of Ba Nb2 O6
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1609
_journal_page_last               1611
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Ba Nb2 O6'
_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                 90.35
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.952
_cell_length_b                   6.049
_cell_length_c                   10.434
_cell_volume                     249.427
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Sirotinkin_ZNOKAQ_1990_1013.cif
_cod_data_source_block           Ba1Nb2O6
_cod_original_cell_volume        249.4269
_cod_original_formula_sum        'Ba1 Nb2 O6'
_cod_database_code               1534920
Theory of bonding in transition-metal carbides and nitrides
Haglund, J.; Fernandez Guillermet, F.; Grimvall, G.; Korling, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 11685–11691; doi:

data_1534921
_publ_section_title
;
 Theory of bonding in transition-metal carbides and nitrides
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              11685
_journal_page_last               11691
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            Pd
_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_formula_units_Z            4
_cell_length_a                   3.9
_cell_length_b                   3.9
_cell_length_c                   3.9
_cell_volume                     59.319
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haglund_PRBMDO_1993_1965.cif
_cod_data_source_block           Pd1
_cod_original_formula_sum        Pd1
_cod_database_code               1534921
Chalkogen polycations with mononuclear divalent anions from chalkogen subhalides and tetrachlorides of Zr and Hf: synthesis and crystal structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)
Beck, J.; Schlitt, K.J.; Chemische Berichte 128 (1995) 763–766; doi:

data_1534922
_publ_section_title
;
 Chalkogen polycations with mononuclear divalent anions from chalkogen
 subhalides and tetrachlorides of Zr and Hf: synthesis and crystal
 structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              763
_journal_page_last               766
_journal_volume                  128
_journal_year                    1995
_chemical_formula_sum            'Cl6 Hf Se4'
_chemical_name_systematic        'Se4 (Hf Cl6)'
_space_group_IT_number           138
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.884
_cell_length_b                   10.884
_cell_length_c                   10.409
_cell_volume                     1233.065
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Beck_CHBEAM_1995_1751.cif
_cod_data_source_block           Cl6Hf1Se4
_cod_original_formula_sum        'Cl6 Hf1 Se4'
_cod_database_code               1534922
Incommensurate modulation in the structure of Na9(Fe2(PO4)4(O,F)2) at 623 K.
Maksimov, B.A.; Simonov, V.I.; Klokova, N.E.; Tamazyan, R.A.; Petrzhichek, V.; Popov, A.N.; Kristallografiya 37 (1992) 1152–1163; doi:

data_1534923
_publ_section_title
;
 Incommensurate modulation in the structure of Na9(Fe2(PO4)4(O,F)2) at 623
 K.
;
_journal_name_full               Kristallografiya
_journal_page_first              1152
_journal_page_last               1163
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'F Fe2 Na8.81 O17 P4'
_chemical_name_systematic        'Na8.81 Fe2 O F (P O4)4'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.645
_cell_length_b                   14.866
_cell_length_c                   7.144
_cell_volume                     1661.541
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Maksimov_KRISAJ_1992_1335.cif
_cod_data_source_block           F1Fe2Na8.81O17P4
_cod_original_formula_sum        'F1 Fe2 Na8.81 O17 P4'
_cod_database_code               1534923
Structure of high temperature modification of Ba Nb2 O6
Sirotinkin, V.P.; Sirotinkin, S.P.; Zhurnal Neorganicheskoi Khimii 35 (1990) 2189–2191; doi:

data_1534924
_publ_section_title
;
 Structure of high temperature modification of Ba Nb2 O6
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              2189
_journal_page_last               2191
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Ba Nb2 O6'
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.88
_cell_length_b                   12.215
_cell_length_c                   10.292
_cell_volume                     990.648
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Sirotinkin_ZNOKAQ_1990_1049.cif
_cod_data_source_block           Ba1Nb2O6
_cod_original_cell_volume        990.6483
_cod_original_formula_sum        'Ba1 Nb2 O6'
_cod_database_code               1534924
Theory of bonding in transition-metal carbides and nitrides
Haglund, J.; Grimvall, G.; Fernandez Guillermet, F.; Korling, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 11685–11691; doi:

data_1534925
_publ_section_title
;
 Theory of bonding in transition-metal carbides and nitrides
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              11685
_journal_page_last               11691
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            La
_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_formula_units_Z            4
_cell_length_a                   5.32
_cell_length_b                   5.32
_cell_length_c                   5.32
_cell_volume                     150.569
_citation_journal_id_ASTM        PRBMDO
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