LMucko/crystallography-open-database huggingface dataset:
Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E= S, Se; M= Zr, Hf; X= Cl, Br)
Beck, J.; Hedderich, S.; Journal of Solid State Chemistry 172 (2003) 12–16; doi:

data_1534926
_publ_section_title
;
 Expanded polycationic mercury - chalcogen networks in the layered
 compounds Hg3 E2 (M X6) (E= S, Se; M= Zr, Hf; X= Cl, Br)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              12
_journal_page_last               16
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'Cl6 Hf Hg3 Se2'
_chemical_name_systematic        'Hg3 Se2 (Hf Cl6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.992
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.095
_cell_length_b                   7.499
_cell_length_c                   6.6272
_cell_volume                     650.394
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Beck_JSSCBI_2003_632.cif
_cod_data_source_block           Cl6Hf1Hg3Se2
_cod_original_cell_volume        650.3939
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'Cl6 Hf1 Hg3 Se2'
_cod_database_code               1534926
The fluorite-matrix-based Ba4 R3 F17 (R= Y, Yb) crystal structure. Ordering of cations and specific features of the anionic motif.
Maksimov, B.A.; Golubev, A.M.; Solans, H.; Dudka, A.P.; Badria-Font, M.; Genkina, E.A.; Buchinskaya, I.I.; Loshmanov, A.A.; Simonov, V.I.; Font-Altaba, M.; Kristallografiya 41 (1996) 51–59; doi:

data_1534927
_publ_section_title
;
 The fluorite-matrix-based Ba4 R3 F17 (R= Y, Yb) crystal structure.
 Ordering of cations and specific features of the anionic motif.
;
_journal_name_full               Kristallografiya
_journal_page_first              51
_journal_page_last               59
_journal_volume                  41
_journal_year                    1996
_chemical_formula_sum            'Ba4 F17 Y3'
_chemical_name_systematic        'Ba4 Y3 F17'
_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_formula_units_Z            6
_cell_length_a                   11.075
_cell_length_b                   11.075
_cell_length_c                   20.372
_cell_volume                     2163.973
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Maksimov_KRISAJ_1996_1528.cif
_cod_data_source_block           Ba4F17Y3
_cod_database_code               1534927
Systems ANb2O6-ATa2O6, A=Ca,Sr,Ba
Sirotinkin, V.P.; Sirotinkin, S.P.; Zhurnal Neorganicheskoi Khimii 38 (1993) 1071–1073; doi:

data_1534928
_publ_section_title
;
 Systems ANb2O6-ATa2O6, A=Ca,Sr,Ba
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1071
_journal_page_last               1073
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'O6 Sr Ta2'
_chemical_name_systematic        'Sr Ta2 O6'
_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                   11.013
_cell_length_b                   7.632
_cell_length_c                   5.621
_cell_volume                     472.452
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Sirotinkin_ZNOKAQ_1993_1356.cif
_cod_data_source_block           O6Sr1Ta2
_cod_original_cell_volume        472.4518
_cod_original_formula_sum        'O6 Sr1 Ta2'
_cod_database_code               1534928
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_1534929
_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            Hf
_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                   4.44
_cell_length_b                   4.44
_cell_length_c                   4.44
_cell_volume                     87.528
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haglund_PRBMDO_1993_1968.cif
_cod_data_source_block           Hf1
_cod_original_cell_volume        87.52839
_cod_original_formula_sum        Hf1
_cod_database_code               1534929
Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)
Beck, J.; Hedderich, S.; Journal of Solid State Chemistry 172 (2003) 12–16; doi:

data_1534930
_publ_section_title
;
 Expanded polycationic mercury - chalcogen networks in the layered
 compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              12
_journal_page_last               16
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'Br6 Hg3 Se2 Zr'
_chemical_name_systematic        'Hg3 Se2 (Zr Br6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.164
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.5099
_cell_length_b                   7.5679
_cell_length_c                   7.0197
_cell_volume                     717.193
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Beck_JSSCBI_2003_633.cif
_cod_data_source_block           Br6Hg3Se2Zr1
_cod_original_cell_volume        717.1934
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'Br6 Hg3 Se2 Zr1'
_cod_database_code               1534930
The fluorite-matrix-based Ba4 R3 F17 (R= Y, Yb) crystal structure. Ordering of cations and specific features of the anionic motif.
Maksimov, B.A.; Buchinskaya, I.I.; Solans, H.; Dudka, A.P.; Genkina, E.A.; Font-Altaba, M.; Badria-Font, M.; Loshmanov, A.A.; Golubev, A.M.; Simonov, V.I.; Kristallografiya 41 (1996) 51–59; doi:

data_1534931
_publ_section_title
;
 The fluorite-matrix-based Ba4 R3 F17 (R= Y, Yb) crystal structure.
 Ordering of cations and specific features of the anionic motif.
;
_journal_name_full               Kristallografiya
_journal_page_first              51
_journal_page_last               59
_journal_volume                  41
_journal_year                    1996
_chemical_formula_sum            'Ba4 F17 Yb3'
_chemical_name_systematic        'Ba4 Yb3 F17'
_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_formula_units_Z            6
_cell_length_a                   11
_cell_length_b                   11
_cell_length_c                   20.262
_cell_volume                     2123.236
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Maksimov_KRISAJ_1996_1529.cif
_cod_data_source_block           Ba4F17Yb3
_cod_database_code               1534931
Crystal Structure of dirubidium dicopper octadecachlorohexaniobate(4-), Rb2 Cu2 (Nb6 Cl18)
Sitar, J.; Lachgar, A.; Meyer, H.J.; Zeitschrift fuer Kristallographie (149,1979-) 211 (1996) 395–395; doi:

data_8103884
_publ_section_title
;
 Crystal Structure of dirubidium dicopper octadecachlorohexaniobate(4-),
 Rb2 Cu2 (Nb6 Cl18)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              395
_journal_page_last               395
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Cl18 Cu2 Nb6 Rb2'
_chemical_name_systematic        'Rb2 Cu2 (Nb6 Cl18)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                119.71
_cell_angle_beta                 95.5
_cell_angle_gamma                105.76
_cell_formula_units_Z            1
_cell_length_a                   9.247
_cell_length_b                   9.28
_cell_length_c                   9.282
_cell_volume                     639.993
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Sitar_ZEKRDZ_1996_1895.cif
_cod_data_source_block           Cl18Cu2Nb6Rb2
_cod_original_cell_volume        639.9929
_cod_database_code               8103884
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_1534932
_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            Ta
_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                   4.22
_cell_length_b                   4.22
_cell_length_c                   4.22
_cell_volume                     75.151
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haglund_PRBMDO_1993_1976.cif
_cod_data_source_block           Ta1
_cod_original_cell_volume        75.15144
_cod_original_formula_sum        Ta1
_cod_database_code               1534932
Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)
Beck, J.; Hedderich, S.; Journal of Solid State Chemistry 172 (2003) 12–16; doi:

data_1534933
_publ_section_title
;
 Expanded polycationic mercury - chalcogen networks in the layered
 compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              12
_journal_page_last               16
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'Cl6 Hg3 Se2 Zr'
_chemical_name_systematic        'Hg3 Se2 (Zr Cl6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.207
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.1133
_cell_length_b                   7.4975
_cell_length_c                   6.6335
_cell_volume                     652.041
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Beck_JSSCBI_2003_634.cif
_cod_data_source_block           Cl6Hg3Se2Zr1
_cod_original_cell_volume        652.0409
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'Cl6 Hg3 Se2 Zr1'
_cod_database_code               1534933
The wheel-shaped Cu20 tungstophosphate [Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)](25-) ion
Mal, S.S.; Kortz, U.; Angew. Chem. Int. ed. 44 (2005) 3777–3780; doi:

data_1534934
_publ_section_title
;
 The wheel-shaped Cu20 tungstophosphate [Cu20 Cl (O H)24 (H2 O)12 (P8 W48
 O184)](25-) ion
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              3777
_journal_page_last               3780
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Cl Cu20 H92 K12 Li13 O242 P8 W48'
_chemical_name_systematic
;
K12 Li13 (Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)) (H2 O)22
;
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   26.753
_cell_length_b                   26.753
_cell_length_c                   21.241
_cell_volume                     15202.672
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Mal_ACIEF5_2005_1945.cif
_cod_data_source_block           H92Cl1Cu20K12Li13O242P8W48
_cod_original_cell_volume        15202.67
_cod_original_formula_sum        'H92 Cl1 Cu20 K12 Li13 O242 P8 W48'
_cod_database_code               1534934
Crystal structure of K3OI
Sitta, S.; Vogt, P.; Hippler, K.; Sabrowsky, H.; Zeitschrift fuer Kristallographie (149,1979-) 196 (1991) 193–196; doi:

data_8103885
_publ_section_title
;
 Crystal structure of K3OI
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  196
_journal_year                    1991
_chemical_formula_sum            'I K3 O'
_chemical_name_systematic        'K3 O I'
_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                   5.283
_cell_length_b                   5.283
_cell_length_c                   5.283
_cell_volume                     147.449
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Sitta_ZEKRDZ_1991_4.cif
_cod_data_source_block           I1K3O1
_cod_original_formula_sum        'I1 K3 O1'
_cod_database_code               8103885
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_1534935
_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            W
_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                   4.06
_cell_length_b                   4.06
_cell_length_c                   4.06
_cell_volume                     66.923
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haglund_PRBMDO_1993_1980.cif
_cod_data_source_block           W1
_cod_original_cell_volume        66.92342
_cod_original_formula_sum        W1
_cod_database_code               1534935
Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)
Beck, J.; Hedderich, S.; Journal of Solid State Chemistry 172 (2003) 12–16; doi:

data_1534936
_publ_section_title
;
 Expanded polycationic mercury - chalcogen networks in the layered
 compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              12
_journal_page_last               16
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'Cl6 Hg3 S2 Zr'
_chemical_name_systematic        'Hg3 S2 (Zr Cl6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.755
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.9083
_cell_length_b                   7.3497
_cell_length_c                   6.6218
_cell_volume                     627.930
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Beck_JSSCBI_2003_635.cif
_cod_data_source_block           Cl6Hg3S2Zr1
_cod_original_cell_volume        627.9296
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'Cl6 Hg3 S2 Zr1'
_cod_database_code               1534936
Layered ordering of vacancies of lead iron phosphate Pb3 Fe2 (P O4)4
Malakho, A.P.; Morozov, V.A.; Lazoryak, B.I.; Pokholok, K.V.; van Tendeloo, G.; Solid State Sciences 7 (2005) 397–404; doi:

data_1534937
_publ_section_title
;
 Layered ordering of vacancies of lead iron phosphate Pb3 Fe2 (P O4)4
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              397
_journal_page_last               404
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'Fe2 O16 P4 Pb3'
_chemical_name_systematic        'Pb3 Fe2 (P O4)4'
_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                 116.88
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0065
_cell_length_b                   9.0574
_cell_length_c                   9.3057
_cell_volume                     677.098
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Malakho_SSSCFJ_2005_1671.cif
_cod_data_source_block           Fe2O16P4Pb3
_cod_original_cell_volume        677.0984
_cod_database_code               1534937
Polymers in the form of linked rings - a novel type of structures for chalcogen polycations. The crystal structures of (Se4.85 Te3.15) (W O Cl4)2 and (Se4 Te3) (W O Cl4)2
Beck, J.; Schloerb, T.; Phosphorus, Sulfur, Silicon and Related Elements 124 (1997) 125–305; doi:

data_1534940
_publ_section_title
;
 Polymers in the form of linked rings - a novel type of structures for
 chalcogen polycations. The crystal structures of (Se4.85 Te3.15) (W O
 Cl4)2 and (Se4 Te3) (W O Cl4)2
;
_journal_name_full
'Phosphorus, Sulfur, Silicon and Related Elements'
_journal_page_first              125
_journal_page_last               305
_journal_volume                  124
_journal_year                    1997
_chemical_formula_sum            'Cl8 O2 Se4 Te3 W2'
_chemical_name_systematic        '(Se4 Te3) (W O Cl4)2'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.987
_cell_length_b                   10.72
_cell_length_c                   15.639
_cell_volume                     1974.026
_citation_journal_id_ASTM        PSSLEC
_cod_data_source_file            Beck_PSSLEC_1997_451.cif
_cod_data_source_block           Cl8O2Se4Te3W2
_cod_database_code               1534940
A new metal-spinel composite (Fe.2 Co.8).8 (Fe2.38 Co.62 O4): behaviour under vacuum
Malats i Riera, A.; Pourroy, G.; Poix, P.; Journal of Alloys Compd. 202 (1993) 113–116; doi:

data_1534941
_publ_section_title
;
 A new metal-spinel composite (Fe.2 Co.8).8 (Fe2.38 Co.62 O4): behaviour
 under vacuum
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              113
_journal_page_last               116
_journal_volume                  202
_journal_year                    1993
_chemical_formula_sum            'Co0.62 Fe2.38 O4'
_chemical_name_systematic        '(Fe2.38 Co0.62 O4)'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.396
_cell_length_b                   8.396
_cell_length_c                   8.396
_cell_volume                     591.858
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            MalatsiRiera_JALCEU_1993_693.cif
_cod_data_source_block           Co0.62Fe2.38O4
_cod_original_cell_volume        591.8577
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_database_code               1534941
Crystal structure of fluorophosphate KCrPO4F.
Slobodyanik, N.S.; Nagornyi, P.G.; Kornienko, Z.I.; Kapshuk, A.A.; Zhurnal Neorganicheskoi Khimii 36 (1991) 1390–1392; doi:

data_1534942
_publ_section_title
;
 Crystal structure of fluorophosphate KCrPO4F.
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1390
_journal_page_last               1392
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Cr F K O4 P'
_chemical_name_systematic        'K Cr P O4 F'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.346
_cell_length_b                   10.555
_cell_length_c                   12.776
_cell_volume                     855.762
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Slobodyanik_ZNOKAQ_1991_1150.cif
_cod_data_source_block           Cr1F1K1O4P1
_cod_original_cell_volume        855.7625
_cod_original_sg_symbol_Hall     'P 2c -2n (y,z,x)'
_cod_original_formula_sum        'Cr1 F1 K1 O4 P1'
_cod_database_code               1534942
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_1534943
_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            Os
_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                   3.89
_cell_length_b                   3.89
_cell_length_c                   3.89
_cell_volume                     58.864
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haglund_PRBMDO_1993_1989.cif
_cod_data_source_block           Os1
_cod_original_cell_volume        58.86387
_cod_original_formula_sum        Os1
_cod_database_code               1534943