# generated using pymatgen data_CeMo12(NO27)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.53845597 _cell_length_b 10.53845597 _cell_length_c 10.53845636 _cell_angle_alpha 76.50065114 _cell_angle_beta 76.50065110 _cell_angle_gamma 76.50065218 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeMo12(NO27)2 _chemical_formula_sum 'Ce1 Mo12 N2 O54' _cell_volume 1086.61565943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo1 1 0.14879734 0.06988121 0.65553856 1.0 Mo Mo2 1 0.06988121 0.65553856 0.14879734 1.0 Mo Mo3 1 0.65553856 0.14879734 0.06988121 1.0 Mo Mo4 1 0.85120266 0.93011879 0.34446144 1.0 Mo Mo5 1 0.93011879 0.34446144 0.85120266 1.0 Mo Mo6 1 0.34446144 0.85120266 0.93011879 1.0 Mo Mo7 1 0.83252373 0.06371108 0.71948435 1.0 Mo Mo8 1 0.06371108 0.71948435 0.83252373 1.0 Mo Mo9 1 0.71948435 0.83252373 0.06371108 1.0 Mo Mo10 1 0.16747627 0.93628892 0.28051565 1.0 Mo Mo11 1 0.93628892 0.28051565 0.16747627 1.0 Mo Mo12 1 0.28051565 0.16747627 0.93628892 1.0 N N13 1 0.63817488 0.63817488 0.63817488 1.0 N N14 1 0.36182512 0.36182512 0.36182512 1.0 O O15 1 0.21487114 0.20992815 0.57386159 1.0 O O16 1 0.20992815 0.57386159 0.21487114 1.0 O O17 1 0.57386159 0.21487114 0.20992815 1.0 O O18 1 0.78512886 0.79007185 0.42613841 1.0 O O19 1 0.79007185 0.42613841 0.78512886 1.0 O O20 1 0.42613841 0.78512886 0.79007185 1.0 O O21 1 0.96966305 0.17271087 0.79213242 1.0 O O22 1 0.17271087 0.79213242 0.96966305 1.0 O O23 1 0.79213242 0.96966305 0.17271087 1.0 O O24 1 0.03033695 0.82728913 0.20786758 1.0 O O25 1 0.82728913 0.20786758 0.03033695 1.0 O O26 1 0.20786758 0.03033695 0.82728913 1.0 O O27 1 0.25509112 0.93900739 0.58182879 1.0 O O28 1 0.93900739 0.58182879 0.25509112 1.0 O O29 1 0.58182879 0.25509112 0.93900739 1.0 O O30 1 0.74490888 0.06099261 0.41817121 1.0 O O31 1 0.06099261 0.41817121 0.74490888 1.0 O O32 1 0.41817121 0.74490888 0.06099261 1.0 O O33 1 0.02456179 0.91336359 0.78751341 1.0 O O34 1 0.91336359 0.78751341 0.02456179 1.0 O O35 1 0.78751341 0.02456179 0.91336359 1.0 O O36 1 0.97543821 0.08663641 0.21248659 1.0 O O37 1 0.08663641 0.21248659 0.97543821 1.0 O O38 1 0.21248659 0.97543821 0.08663641 1.0 O O39 1 0.99127639 0.09244147 0.57999590 1.0 O O40 1 0.09244147 0.57999590 0.99127639 1.0 O O41 1 0.57999590 0.99127639 0.09244147 1.0 O O42 1 0.00872361 0.90755853 0.42000410 1.0 O O43 1 0.90755853 0.42000410 0.00872361 1.0 O O44 1 0.42000410 0.00872361 0.90755853 1.0 O O45 1 0.72030186 0.20604423 0.67048579 1.0 O O46 1 0.20604423 0.67048579 0.72030186 1.0 O O47 1 0.67048579 0.72030186 0.20604423 1.0 O O48 1 0.27969814 0.79395577 0.32951421 1.0 O O49 1 0.79395577 0.32951421 0.27969814 1.0 O O50 1 0.32951421 0.27969814 0.79395577 1.0 O O51 1 0.77705365 0.93963279 0.67653174 1.0 O O52 1 0.93963279 0.67653174 0.77705365 1.0 O O53 1 0.67653174 0.77705365 0.93963279 1.0 O O54 1 0.22294635 0.06036721 0.32346826 1.0 O O55 1 0.06036721 0.32346826 0.22294635 1.0 O O56 1 0.32346826 0.22294635 0.06036721 1.0 O O57 1 0.88773729 0.48618825 0.46369852 1.0 O O58 1 0.48618825 0.46369852 0.88773729 1.0 O O59 1 0.46369852 0.88773729 0.48618825 1.0 O O60 1 0.11226271 0.51381175 0.53630148 1.0 O O61 1 0.51381175 0.53630148 0.11226271 1.0 O O62 1 0.53630148 0.11226271 0.51381175 1.0 O O63 1 0.49932601 0.49037597 0.76936774 1.0 O O64 1 0.49037597 0.76936773 0.49932601 1.0 O O65 1 0.76936773 0.49932601 0.49037597 1.0 O O66 1 0.50067399 0.50962403 0.23063226 1.0 O O67 1 0.50962403 0.23063227 0.50067399 1.0 O O68 1 0.23063227 0.50067399 0.50962403 1.0