LMucko/crystallography-open-database huggingface dataset:
Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel; Chemical science 14 (2023) 12984–12994; doi:10.1039/d3sc04406h

data_1570686
_publ_section_title
;
 Net-clipping as a top-down approach for the prediction of topologies of
 MOFs built from reduced-symmetry linkers.
;
_journal_issue                   45
_journal_name_full               'Chemical science'
_journal_page_first              12984
_journal_page_last               12994
_journal_paper_doi               10.1039/d3sc04406h
_journal_volume                  14
_journal_year                    2023
_chemical_formula_structural     icn33
_chemical_formula_sum            'C4 N2 O'
_space_group_IT_number           175
_space_group_name_Hall           '-P 6'
_space_group_name_H-M_alt        'P 6/m'
_symmetry_Int_Tables_number      175
_symmetry_space_group_name_H-M   'P 6/m'
_audit_creation_date             2023-08-20
_audit_creation_method           ToposPro
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.266
_cell_length_b                   3.266
_cell_length_c                   1.1547
_cell_volume                     10.667
_refine_ls_R_factor_all          0
_cod_data_source_file            d3sc04406h1.cif
_cod_data_source_block           33-TOPOS_icn33
_cod_original_cell_volume        10.66675
_cod_database_code               1570686
_cod_structure_determination_method theoretical
Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel; Chemical science 14 (2023) 12984–12994; doi:10.1039/d3sc04406h

data_1570687
_publ_section_title
;
 Net-clipping as a top-down approach for the prediction of topologies of
 MOFs built from reduced-symmetry linkers.
;
_journal_issue                   45
_journal_name_full               'Chemical science'
_journal_page_first              12984
_journal_page_last               12994
_journal_paper_doi               10.1039/d3sc04406h
_journal_volume                  14
_journal_year                    2023
_chemical_formula_structural     icn34
_chemical_formula_sum            'C4 N2 O'
_space_group_IT_number           97
_space_group_name_Hall           'I 4 2'
_space_group_name_H-M_alt        'I 4 2 2'
_symmetry_Int_Tables_number      97
_symmetry_space_group_name_H-M   'I 4 2 2'
_audit_creation_date             2023-08-20
_audit_creation_method           ToposPro
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.37485
_cell_length_b                   2.37485
_cell_length_c                   2.16458
_cell_volume                     12.208
_refine_ls_R_factor_all          0
_cod_data_source_file            d3sc04406h1.cif
_cod_data_source_block           34-TOPOS_icn34
_cod_original_cell_volume        12.20804
_cod_database_code               1570687
_cod_structure_determination_method theoretical
Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel; Chemical science 14 (2023) 12984–12994; doi:10.1039/d3sc04406h

data_1570688
_publ_section_title
;
 Net-clipping as a top-down approach for the prediction of topologies of
 MOFs built from reduced-symmetry linkers.
;
_journal_issue                   45
_journal_name_full               'Chemical science'
_journal_page_first              12984
_journal_page_last               12994
_journal_paper_doi               10.1039/d3sc04406h
_journal_volume                  14
_journal_year                    2023
_chemical_formula_structural     icn35
_chemical_formula_sum            'C4 N2 O'
_space_group_IT_number           126
_space_group_name_Hall           '-P 4a 2bc'
_space_group_name_H-M_alt        'P 4/n n c :2'
_symmetry_Int_Tables_number      126
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_audit_creation_date             2023-08-20
_audit_creation_method           ToposPro
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.37513
_cell_length_b                   2.37513
_cell_length_c                   2.16441
_cell_volume                     12.210
_refine_ls_R_factor_all          0
_cod_data_source_file            d3sc04406h1.cif
_cod_data_source_block           35-TOPOS_icn35
_cod_original_cell_volume        12.20996
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_database_code               1570688
_cod_structure_determination_method theoretical
Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel; Chemical science 14 (2023) 12984–12994; doi:10.1039/d3sc04406h

data_1570689
_publ_section_title
;
 Net-clipping as a top-down approach for the prediction of topologies of
 MOFs built from reduced-symmetry linkers.
;
_journal_issue                   45
_journal_name_full               'Chemical science'
_journal_page_first              12984
_journal_page_last               12994
_journal_paper_doi               10.1039/d3sc04406h
_journal_volume                  14
_journal_year                    2023
_chemical_formula_structural     icn36
_chemical_formula_sum            'C12 N4 O3'
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_creation_date             2023-08-20
_audit_creation_method           ToposPro
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.71504
_cell_length_b                   4.71504
_cell_length_c                   2.98081
_cell_volume                     66.268
_refine_ls_R_factor_all          0
_cod_data_source_file            d3sc04406h1.cif
_cod_data_source_block           36-TOPOS_icn36
_cod_original_cell_volume        66.26819
_cod_database_code               1570689
_cod_structure_determination_method theoretical
Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel; Chemical science 14 (2023) 12984–12994; doi:10.1039/d3sc04406h

data_1570690
_publ_section_title
;
 Net-clipping as a top-down approach for the prediction of topologies of
 MOFs built from reduced-symmetry linkers.
;
_journal_issue                   45
_journal_name_full               'Chemical science'
_journal_page_first              12984
_journal_page_last               12994
_journal_paper_doi               10.1039/d3sc04406h
_journal_volume                  14
_journal_year                    2023
_chemical_formula_structural     icn37
_chemical_formula_sum            'C12 N4 O3'
_space_group_IT_number           222
_space_group_name_Hall           'P 4 2 3 -1n'
_space_group_name_H-M_alt        'P n -3 n :1'
_symmetry_Int_Tables_number      222
_symmetry_space_group_name_H-M   'P n -3 n :1'
_audit_creation_date             2023-08-20
_audit_creation_method           ToposPro
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.3094
_cell_length_b                   2.3094
_cell_length_c                   2.3094
_cell_volume                     12.317
_refine_ls_R_factor_all          0
_cod_data_source_file            d3sc04406h1.cif
_cod_data_source_block           37-TOPOS_icn37
_cod_original_cell_volume        12.31679
_cod_original_sg_symbol_H-M      'P n -3 n'
_cod_database_code               1570690
_cod_structure_determination_method theoretical
Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel; Chemical science 14 (2023) 12984–12994; doi:10.1039/d3sc04406h

data_1570691
_publ_section_title
;
 Net-clipping as a top-down approach for the prediction of topologies of
 MOFs built from reduced-symmetry linkers.
;
_journal_issue                   45
_journal_name_full               'Chemical science'
_journal_page_first              12984
_journal_page_last               12994
_journal_paper_doi               10.1039/d3sc04406h
_journal_volume                  14
_journal_year                    2023
_chemical_formula_structural     icn38
_chemical_formula_sum            'C12 N4 O3'
_space_group_IT_number           211
_space_group_name_Hall           'I 4 2 3'
_space_group_name_H-M_alt        'I 4 3 2'
_symmetry_Int_Tables_number      211
_symmetry_space_group_name_H-M   'I 4 3 2'
_audit_creation_date             2023-08-20
_audit_creation_method           ToposPro
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.3094
_cell_length_b                   2.3094
_cell_length_c                   2.3094
_cell_volume                     12.317
_refine_ls_R_factor_all          0
_cod_data_source_file            d3sc04406h1.cif
_cod_data_source_block           38-TOPOS_icn38
_cod_original_cell_volume        12.31679
_cod_database_code               1570691
_cod_structure_determination_method theoretical
Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel; Chemical science 14 (2023) 12984–12994; doi:10.1039/d3sc04406h

data_1570692
_publ_section_title
;
 Net-clipping as a top-down approach for the prediction of topologies of
 MOFs built from reduced-symmetry linkers.
;
_journal_issue                   45
_journal_name_full               'Chemical science'
_journal_page_first              12984
_journal_page_last               12994
_journal_paper_doi               10.1039/d3sc04406h
_journal_volume                  14
_journal_year                    2023
_chemical_formula_structural     icn39
_chemical_formula_sum            'C4 N O'
_space_group_IT_number           89
_space_group_name_Hall           'P 4 2'
_space_group_name_H-M_alt        'P 4 2 2'
_symmetry_Int_Tables_number      89
_symmetry_space_group_name_H-M   'P 4 2 2'
_audit_creation_date             2023-08-20
_audit_creation_method           ToposPro
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   1.1547
_cell_length_b                   1.1547
_cell_length_c                   1.1547
_cell_volume                     1.540
_refine_ls_R_factor_all          0
_cod_data_source_file            d3sc04406h1.cif
_cod_data_source_block           39-TOPOS_icn39
_cod_original_cell_volume        1.539599
_cod_database_code               1570692
_cod_structure_determination_method theoretical
Crystal structure of Ca5(Sc0.4Ti0.6)4Fe2As2O11
Simura, R.; Yatsu, Y.; Sakai, N.; Yamane, H.; Ogino, H.; Journal of the Ceramic Society of Japan 132 (2024) 34–37; doi:10.2109/jcersj2.23163

data_1570723
_publ_section_title
;
 Crystal structure of Ca5(Sc0.4Ti0.6)4Fe2As2O11
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              34
_journal_page_last               37
_journal_paper_doi               10.2109/jcersj2.23163
_journal_volume                  132
_journal_year                    2024
_chemical_formula_sum            'As2 Ca5 Fe2.38 O11 Sc1.62 Ti2.4'
_chemical_name_common            Ca5(Sc0.4Ti0.6)4Fe2As2O11
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   3.8964(1)
_cell_length_b                   3.8964(1)
_cell_length_c                   41.2890(12)
_cell_volume                     626.85(3)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Ca5Sc0.4Ti0.64Fe2As2O11.cif
_cod_data_source_block           Ca5(Sc0.4Ti0.6)4Fe2As2O11
_cod_original_cell_volume        626.846844
_cod_original_formula_sum        'Ca5 Sc1.62 Ti2.4 Fe2.38 As2 O11'
_cod_database_code               1570723
Asagiite, NiCu4(SO4)2(OH)6*6H2O, a new member of the ktenasite group from the Nakauri mine, Shinshiro City, Aichi Prefecture, Japan
Nishio-Hamane, D.; Yajima, T.; Shimobayashi, N.; Ohnishi, M.; Niwa, T.; Journal of Mineralogical and Petrological Sciences  (2023) 1–8; doi:10.2465/jmps.230711

data_1570751
_publ_section_title
;
 Asagiite, NiCu4(SO4)2(OH)6*6H2O, a new member of the ktenasite group from
 the Nakauri mine, Shinshiro City, Aichi Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.2465/jmps.230711
_journal_volume                  118:024
_journal_year                    2023
_chemical_formula_sum
'Co0.18 Cu3.44 Fe0.01 H18.05 Ni0.76 O20 S2 Zn0.59'
_chemical_name_common            NiCu4(SO4)2(OH)6*6H2O
_chemical_name_mineral           asagiite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 95.288(4)
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   5.6095(8)
_cell_length_b                   6.1259(7)
_cell_length_c                   23.758(3)
_cell_volume                     812.93(18)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            asagiite.cif
_cod_data_source_block           asagiite
_cod_original_cell_volume        812.927114
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum
'Cu3.44 Ni0.76 Zn0.59 Co0.18 Fe0.01 S2 O20 H18.05'
_cod_database_code               1570751
Determination of orientational ordering of hydroxy groups in kulanite between 120-353 K using single-crystal X-ray diffraction
Yamane, R.; Tokuda, M.; Sugiyama, K.; Journal of Mineralogical and Petrological Sciences  (2023) 1–6; doi:10.2465/jmps.220701

data_1570752
_publ_section_title
;
 Determination of orientational ordering of hydroxy groups in kulanite
 between 120-353 K using single-crystal X-ray diffraction
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               6
_journal_paper_doi               10.2465/jmps.220701
_journal_volume                  118:003
_journal_year                    2023
_chemical_formula_sum            'Al1.82 Ba Fe1.82 H3 Mg0.36 O15 P3'
_chemical_name_common
'Ba(Fe0.82Mg0.18)2(Al0.91Fe0.09)2(PO4)3(OH)3 at 120 K'
_chemical_name_mineral           'kulanite at 120 K'
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 100.421(2)
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   9.0356(2)
_cell_length_b                   12.1065(2)
_cell_length_c                   4.93290(10)
_cell_volume                     530.707(18)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      120
_cod_data_source_file            kulanite.cif
_cod_data_source_block           kulanite
_cod_original_cell_volume        530.706695
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'Ba1 Fe1.82 Mg0.36 Al1.82 P3 O15 H3'
_cod_database_code               1570752
Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions
Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.; Journal of Mineralogical and Petrological Sciences  (2023) 1–10; doi:10.2465/jmps.220901

data_1570753
_publ_section_title
;
 Synthesis, single crystal structure analyses and ultraviolet light
 emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.2465/jmps.220901
_journal_volume                  118:009
_journal_year                    2023
_chemical_formula_sum            'Ca O4 W'
_chemical_name_common            CaWO4
_chemical_name_mineral           scheelite
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.24270(10)
_cell_length_b                   5.24270(10)
_cell_length_c                   11.3720(2)
_cell_volume                     312.570(10)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            CaWO4.cif
_cod_data_source_block           CaWO4
_cod_original_cell_volume        312.570(13)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca1 W1 O4'
_cod_database_code               1570753
Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions
Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.; Journal of Mineralogical and Petrological Sciences  (2023) 1–10; doi:10.2465/jmps.220901

data_1570754
_publ_section_title
;
 Synthesis, single crystal structure analyses and ultraviolet light
 emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.2465/jmps.220901
_journal_volume                  118:009
_journal_year                    2023
_chemical_formula_sum            'Ca Mo O4'
_chemical_name_common            CaMoO4
_chemical_name_mineral           powellite
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.22360(10)
_cell_length_b                   5.22360(10)
_cell_length_c                   11.4285(4)
_cell_volume                     311.838(14)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            CaMoO4.cif
_cod_data_source_block           CaWO4
_cod_original_cell_volume        311.838(16)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca1 Mo1 O4'
_cod_database_code               1570754
Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions
Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.; Journal of Mineralogical and Petrological Sciences  (2023) 1–10; doi:10.2465/jmps.220901

data_1570755
_publ_section_title
;
 Synthesis, single crystal structure analyses and ultraviolet light
 emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.2465/jmps.220901
_journal_volume                  118:009
_journal_year                    2023
_chemical_formula_sum            'Ca Mo0.22 O4 W0.78'
_chemical_name_common            CaW0.78Mo0.22O4
_chemical_name_mineral           'scheelite-powellite solid solution'
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.24000(10)
_cell_length_b                   5.24000(10)
_cell_length_c                   11.3810(3)
_cell_volume                     312.495(12)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            CaW0.78Mo0.22O4.cif
_cod_data_source_block           CaWO4
_cod_original_cell_volume        312.495(14)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca1 W0.78 Mo0.22 O4'
_cod_database_code               1570755
Synthesis, single crystal structure analyses and ultraviolet light emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions
Murai, K.; Yamashita, K.; Kitahara, G.; Tokuda, M.; Yoshiasa, A.; Journal of Mineralogical and Petrological Sciences  (2023) 1–10; doi:10.2465/jmps.220901

data_1570756
_publ_section_title
;
 Synthesis, single crystal structure analyses and ultraviolet light
 emission of CaW1-xMoxO4 (x = 0.0-1.0) scheelite-powellite solid solutions
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.2465/jmps.220901
_journal_volume                  118:009
_journal_year                    2023
_chemical_formula_sum            'Ca Mo0.34 O4 W0.66'
_chemical_name_common            CaW0.66Mo0.34O4
_chemical_name_mineral           'scheelite-powellite solid solution'
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.23680(10)
_cell_length_b                   5.23680(10)
_cell_length_c                   11.3972(4)
_cell_volume                     312.558(14)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            CaW0.66Mo0.34O4.cif
_cod_data_source_block           CaWO4
_cod_original_cell_volume        312.558(16)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca1 W0.66 Mo0.34 O4'
_cod_database_code               1570756