LMucko/crystallography-open-database huggingface dataset:
Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~
Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R; Journal of Solid State Chemistry 51 (1984) 212–217; doi:10.1016/0022-4596(84)90336-0

data_1008244
_publ_section_title
;
Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters
tetraedriques Mo~4~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              212
_journal_page_last               217
_journal_paper_doi               10.1016/0022-4596(84)90336-0
_journal_volume                  51
_journal_year                    1984
_chemical_formula_structural     'Ga Mo4 Se4 Te4'
_chemical_formula_sum            'Ga Mo4 Se4 Te4'
_chemical_name_systematic
;
Gallium molybdenum selenide telluride (1/4/4/4)
;
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.62
_cell_length_b                   10.62
_cell_length_c                   10.62
_cell_volume                     1197.8
_refine_ls_R_factor_all          0.053
_cod_database_code               1008244
On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~
Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F; Materials Research Bulletin 16 (1981) 207–214; doi:10.1016/0025-5408(81)90083-0

data_1008245
_publ_section_title
;
On a new structural type of fluorine compounds: crystal and magnetic
structures of a high pressure form of Pd F~2~
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              207
_journal_page_last               214
_journal_paper_doi               10.1016/0025-5408(81)90083-0
_journal_volume                  16
_journal_year                    1981
_chemical_formula_structural     'PD F2'
_chemical_formula_sum            'F2 Pd'
_chemical_name_systematic        'PALLADIUM(II) FLUORIDE'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   5.329(1)
_cell_length_b                   5.329(1)
_cell_length_c                   5.329(1)
_cell_volume                     151.3
_refine_ls_R_factor_all          0.054
_cod_database_code               1008245
On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~
Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F; Materials Research Bulletin 16 (1981) 207–214; doi:10.1016/0025-5408(81)90083-0

data_1008246
_publ_section_title
;
On a new structural type of fluorine compounds: crystal and magnetic
structures of a high pressure form of Pd F~2~
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              207
_journal_page_last               214
_journal_paper_doi               10.1016/0025-5408(81)90083-0
_journal_volume                  16
_journal_year                    1981
_chemical_formula_structural     'PD F2'
_chemical_formula_sum            'F2 Pd'
_chemical_name_systematic        'PALLADIUM FLUORIDE'
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.329(1)
_cell_length_b                   5.329(1)
_cell_length_c                   5.329(1)
_cell_volume                     151.3
_refine_ls_R_factor_all          0.055
_cod_database_code               1008246
Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O~4~) (H~2~ O)
Boudjada, A; Materials Research Bulletin 15 (1980) 1083–1090; doi:10.1016/0025-5408(80)90070-7

data_1008247
_publ_section_title
;
Structure cristalline de l'orthophosphate monoacide de cuivre
monohydrate Cu (H P O~4~) (H~2~ O)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1083
_journal_page_last               1090
_journal_paper_doi               10.1016/0025-5408(80)90070-7
_journal_volume                  15
_journal_year                    1980
_chemical_formula_structural     'CU (H P O4) (H2 O)'
_chemical_formula_sum            'Cu H3 O5 P'
_chemical_name_systematic        'COPPER HYDROGENPHOSPHATE HYDRATE'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 94.16(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.606(3)
_cell_length_b                   6.346(3)
_cell_length_c                   6.811(3)
_cell_volume                     371.0
_exptl_crystal_density_meas      3.18
_refine_ls_R_factor_all          0.057
_cod_original_formula_sum        'H3 Cu O5 P'
_cod_database_code               1008247
Hydrogen bonding in (N H~4~) (H S O~4~) (N H~4~) (H~2~ P O~4~)
Averbuch-Pouchot, M T; Materials Research Bulletin 16 (1981) 407–411; doi:10.1016/0025-5408(81)90008-8

data_1008248
_publ_section_title
;
Hydrogen bonding in (N H~4~) (H S O~4~) (N H~4~) (H~2~ P O~4~)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              407
_journal_page_last               411
_journal_paper_doi               10.1016/0025-5408(81)90008-8
_journal_volume                  16
_journal_year                    1981
_chemical_formula_structural     '(N H4)2 (H S O4) (H2 P O4)'
_chemical_formula_sum            'H11 N2 O8 P S'
_chemical_name_systematic
;
DIAMMONIUM HYDROGENSULFATE DIHYDROGENPHOSPHATE
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.32(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.723(5)
_cell_length_b                   7.540(5)
_cell_length_c                   7.482(5)
_cell_volume                     427.2
_refine_ls_R_factor_all          0.028
_cod_database_code               1008248
Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~
Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G; Materials Research Bulletin 16 (1981) 855–860; doi:10.1016/0025-5408(81)90160-4

data_1008249
_publ_section_title
;
Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              855
_journal_page_last               860
_journal_paper_doi               10.1016/0025-5408(81)90160-4
_journal_volume                  16
_journal_year                    1981
_chemical_formula_structural     'SR1.50 LA0.50 MN O4'
_chemical_formula_sum            'La0.5 Mn O4 Sr1.5'
_chemical_name_systematic
;
STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.852(1)
_cell_length_b                   3.852(1)
_cell_length_c                   12.39(1)
_cell_volume                     183.8
_cod_original_formula_sum        'La.5 Mn O4 Sr1.5'
_cod_database_code               1008249
Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~
Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G; Materials Research Bulletin 16 (1981) 855–860; doi:10.1016/0025-5408(81)90160-4

data_1008250
_publ_section_title
;
Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              855
_journal_page_last               860
_journal_paper_doi               10.1016/0025-5408(81)90160-4
_journal_volume                  16
_journal_year                    1981
_chemical_formula_structural     'SR1.50 LA0.50 MN O4'
_chemical_formula_sum            'La0.5 Mn O4 Sr1.5'
_chemical_name_systematic
;
STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.853(1)
_cell_length_b                   3.853(1)
_cell_length_c                   12.39(1)
_cell_volume                     183.9
_cod_original_formula_sum        'La.5 Mn O4 Sr1.5'
_cod_database_code               1008250
Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~
Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G; Materials Research Bulletin 16 (1981) 855–860; doi:10.1016/0025-5408(81)90160-4

data_1008251
_publ_section_title
;
Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              855
_journal_page_last               860
_journal_paper_doi               10.1016/0025-5408(81)90160-4
_journal_volume                  16
_journal_year                    1981
_chemical_formula_structural     'SR1.50 LA0.50 MN O4'
_chemical_formula_sum            'La0.5 Mn O4 Sr1.5'
_chemical_name_systematic
;
STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.868(1)
_cell_length_b                   3.868(1)
_cell_length_c                   12.45(1)
_cell_volume                     186.3
_cod_original_formula_sum        'La.5 Mn O4 Sr1.5'
_cod_database_code               1008251
Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O
Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J; Materials Research Bulletin 16 (1981) 869–876; doi:10.1016/0025-5408(81)90162-8

data_1008252
_publ_section_title
;
Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              869
_journal_page_last               876
_journal_paper_doi               10.1016/0025-5408(81)90162-8
_journal_volume                  16
_journal_year                    1981
_chemical_formula_structural     'TI4 FE2 O'
_chemical_formula_sum            'Fe2 O Ti4'
_chemical_name_systematic        'TETRATITANIUM DIIRON OXYGEN'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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_formula_units_Z            16
_cell_length_a                   11.2824
_cell_length_b                   11.2824
_cell_length_c                   11.2824
_cell_volume                     1436.2
_refine_ls_R_factor_all          0.066
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1008252
Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O
Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J; Materials Research Bulletin 16 (1981) 869–876; doi:10.1016/0025-5408(81)90162-8

data_1008253
_publ_section_title
;
Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              869
_journal_page_last               876
_journal_paper_doi               10.1016/0025-5408(81)90162-8
_journal_volume                  16
_journal_year                    1981
_chemical_formula_structural     'TI4 FE2 O0.95 D2.219'
_chemical_formula_sum            'D2.219 Fe2 O0.95 Ti4'
_chemical_name_systematic
;
Titanium iron oxide deuteride (4/2/0.95/2.2)
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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_formula_units_Z            16
_cell_length_a                   11.2824
_cell_length_b                   11.2824
_cell_length_c                   11.2824
_cell_volume                     1436.2
_refine_ls_R_factor_all          0.085
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_original_formula_sum        'D2.219 Fe2 O.95 Ti4'
_cod_database_code               1008253
Chimie minerale.-Preparation et etude de la phase trirutile Mo Rh~2~ O~6~
Badaud, J P; Fournier, J P; Omaly, J; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 284 (1977) 921–923; doi:

data_1008254
_publ_section_title
;
Chimie minerale.-Preparation et etude de la phase trirutile Mo Rh~2~
O~6~
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              921
_journal_page_last               923
_journal_volume                  284
_journal_year                    1977
_chemical_formula_structural     'MO RH2 O6'
_chemical_formula_sum            'Mo O6 Rh2'
_chemical_name_systematic        'MOLYBDENUM DIRHODIUM(III) OXIDE'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.606
_cell_length_b                   4.606
_cell_length_c                   9.063
_cell_volume                     192.3
_refine_ls_R_factor_all          0.062
_cod_database_code               1008254
The structures of fluorides-XVII: neutron diffraction study of α-uranium oxide tetrafluoride
Levy, J. H.; Taylor, J. C.; Wilson, P. W.; Journal of Inorganic and Nuclear Chemistry 39 (1977) 1989–1991; doi:10.1016/0022-1902(77)80531-9

data_1008255
_publ_section_title
;
 The structures of fluorides-XVII: neutron diffraction study of \a-uranium
 oxide tetrafluoride
;
_journal_coden_ASTM              JINCAO
_journal_issue                   11
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1989
_journal_page_last               1991
_journal_paper_doi               10.1016/0022-1902(77)80531-9
_journal_volume                  39
_journal_year                    1977
_chemical_formula_structural     'U O F4'
_chemical_formula_sum            'F4 O U'
_chemical_name_systematic        'Uranium(VI) oxide tetrafluoride - \a'
_space_group_IT_number           160
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   13.095(6)
_cell_length_b                   13.095(6)
_cell_length_c                   5.658(2)
_cell_volume                     840.2
_refine_ls_R_factor_all          0.15
_cod_original_sg_symbol_H-M      'R 3 m H'
_cod_database_code               1008255
The crystal structure of uranium pentabromide by powder neutron diffraction
Levy, J H; Taylor, J C; Wilson, P W; Journal of Inorganic and Nuclear Chemistry 40 (1978) 1055–1057; doi:10.1016/0022-1902(78)80507-7

data_1008256
_publ_section_title
;
The crystal structure of uranium pentabromide by powder neutron
diffraction
;
_journal_coden_ASTM              JINCAO
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1055
_journal_page_last               1057
_journal_paper_doi               10.1016/0022-1902(78)80507-7
_journal_volume                  40
_journal_year                    1978
_chemical_formula_structural     'U BR5'
_chemical_formula_sum            'Br5 U'
_chemical_name_systematic        'URANIUM(V) PENTABROMIDE'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.25(12)
_cell_angle_beta                 117.56(4)
_cell_angle_gamma                108.87(9)
_cell_formula_units_Z            2
_cell_length_a                   7.449(7)
_cell_length_b                   10.127(14)
_cell_length_c                   6.686(4)
_cell_volume                     417.5
_refine_ls_R_factor_all          0.136
_cod_database_code               1008256
Structure cristalline de (N H~2~)~2~ C O, Sb F~3~
Bourgault, M; Fourcade, R; Ducourant, B; Mascherpa, G; Revue de Chimie Minerale 16 (1979) 151–156; doi:

data_1008257
_publ_section_title
;
Structure cristalline de (N H~2~)~2~ C O, Sb F~3~
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              151
_journal_page_last               156
_journal_volume                  16
_journal_year                    1979
_chemical_formula_structural     '(N H2)2 C O SB F3'
_chemical_formula_sum            'C H4 F3 N2 O Sb'
_chemical_name_systematic        'Urea antimony(III) fluoride'
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.846(3)
_cell_length_b                   8.378(3)
_cell_length_c                   7.241(3)
_cell_volume                     536.6
_refine_ls_R_factor_all          0.079
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11

 Correcting the _chemical_formula_sum data item value by changing it from
 'F3 H4 N2 O Sb' to 'C H4 F3 N2 O Sb'.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_formula_sum        'H4 F3 N2 O Sb'
_cod_database_code               1008257
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A; Nouveau Journal de Chimie 3 (1979) 171–174; doi:

data_1008258
_publ_section_title
;
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion
de la structure electronique du cobalt trivalent
;
_journal_coden_ASTM              NJCHD4
_journal_name_full               'Nouveau Journal de Chimie'
_journal_page_first              171
_journal_page_last               174
_journal_volume                  3
_journal_year                    1979
_chemical_formula_structural     'SR LA CO O4'
_chemical_formula_sum            'Co La O4 Sr'
_chemical_name_systematic        'STRONTIUM LANTHANUM COBALT(III) OXIDE'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.796(3)
_cell_length_b                   3.796(3)
_cell_length_c                   12.447(5)
_cell_volume                     179.4
_cod_database_code               1008258
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A; Nouveau Journal de Chimie 3 (1979) 171–174; doi:

data_1008259
_publ_section_title
;
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion
de la structure electronique du cobalt trivalent
;
_journal_coden_ASTM              NJCHD4
_journal_name_full               'Nouveau Journal de Chimie'
_journal_page_first              171
_journal_page_last               174
_journal_volume                  3
_journal_year                    1979
_chemical_formula_structural     'SR LA CO O4'
_chemical_formula_sum            'Co La O4 Sr'
_chemical_name_systematic        'STRONTIUM LANTHANUM COBALT(III) OXIDE'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.799(3)
_cell_length_b                   3.799(3)
_cell_length_c                   12.454(5)
_cell_volume                     179.7
_cod_database_code               1008259