# generated using pymatgen data_Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62931799 _cell_length_b 9.62931799 _cell_length_c 19.85199600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999995 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo15Se19 _chemical_formula_sum 'Mo30 Se38' _cell_volume 1594.13783191 _cell_formula_units_Z 2 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 Mo Mo0 1 0.68743200 0.50447100 0.13343500 1.0 Mo Mo1 1 0.16537000 0.51208100 0.75000000 1.0 Mo Mo2 1 0.02101100 0.17105000 0.55965200 1.0 Mo Mo3 1 0.82895000 0.84996100 0.55965200 1.0 Mo Mo4 1 0.68743200 0.50447100 0.36656500 1.0 Mo Mo5 1 0.81703900 0.31256800 0.36656500 1.0 Mo Mo6 1 0.49552900 0.18296100 0.13343500 1.0 Mo Mo7 1 0.31256800 0.49552900 0.63343500 1.0 Mo Mo8 1 0.51208100 0.34671100 0.25000000 1.0 Mo Mo9 1 0.15003900 0.97898900 0.55965200 1.0 Mo Mo10 1 0.48791900 0.65328900 0.75000000 1.0 Mo Mo11 1 0.65328900 0.16537000 0.25000000 1.0 Mo Mo12 1 0.82895000 0.84996100 0.94034800 1.0 Mo Mo13 1 0.49552900 0.18296100 0.36656500 1.0 Mo Mo14 1 0.84996100 0.02101100 0.44034800 1.0 Mo Mo15 1 0.18296100 0.68743200 0.86656500 1.0 Mo Mo16 1 0.84996100 0.02101100 0.05965200 1.0 Mo Mo17 1 0.18296100 0.68743200 0.63343500 1.0 Mo Mo18 1 0.97898900 0.82895000 0.44034800 1.0 Mo Mo19 1 0.50447100 0.81703900 0.86656500 1.0 Mo Mo20 1 0.17105000 0.15003900 0.44034800 1.0 Mo Mo21 1 0.15003900 0.97898900 0.94034800 1.0 Mo Mo22 1 0.31256800 0.49552900 0.86656500 1.0 Mo Mo23 1 0.02101100 0.17105000 0.94034800 1.0 Mo Mo24 1 0.81703900 0.31256800 0.13343500 1.0 Mo Mo25 1 0.97898900 0.82895000 0.05965200 1.0 Mo Mo26 1 0.50447100 0.81703900 0.63343500 1.0 Mo Mo27 1 0.34671100 0.83463000 0.75000000 1.0 Mo Mo28 1 0.17105000 0.15003900 0.05965200 1.0 Mo Mo29 1 0.83463000 0.48791900 0.25000000 1.0 Se Se30 1 0.99692900 0.62440100 0.35610900 1.0 Se Se31 1 0.03538900 0.32707000 0.04805900 1.0 Se Se32 1 0.37252800 0.99692900 0.64389100 1.0 Se Se33 1 0.62440100 0.62747200 0.85610900 1.0 Se Se34 1 0.00000000 0.00000000 0.33881300 1.0 Se Se35 1 0.34207200 0.03812000 0.25000000 1.0 Se Se36 1 0.33333300 0.66666700 0.53188300 1.0 Se Se37 1 0.00000000 0.00000000 0.83881300 1.0 Se Se38 1 0.32707000 0.29168100 0.54805900 1.0 Se Se39 1 0.30395200 0.34207200 0.75000000 1.0 Se Se40 1 0.66666700 0.33333300 0.46811700 1.0 Se Se41 1 0.29168100 0.96461100 0.45194100 1.0 Se Se42 1 0.96461100 0.67293000 0.54805900 1.0 Se Se43 1 0.67293000 0.70831900 0.04805900 1.0 Se Se44 1 0.03812000 0.69604800 0.75000000 1.0 Se Se45 1 0.70831900 0.03538900 0.54805900 1.0 Se Se46 1 0.67293000 0.70831900 0.45194100 1.0 Se Se47 1 0.62747200 0.00307100 0.14389100 1.0 Se Se48 1 0.00307100 0.37559900 0.64389100 1.0 Se Se49 1 0.00307100 0.37559900 0.85610900 1.0 Se Se50 1 0.96188000 0.30395200 0.25000000 1.0 Se Se51 1 0.70831900 0.03538900 0.95194100 1.0 Se Se52 1 0.03538900 0.32707000 0.45194100 1.0 Se Se53 1 0.66666700 0.33333300 0.03188300 1.0 Se Se54 1 0.62747200 0.00307100 0.35610900 1.0 Se Se55 1 0.37252800 0.99692900 0.85610900 1.0 Se Se56 1 0.99692900 0.62440100 0.14389100 1.0 Se Se57 1 0.96461100 0.67293000 0.95194100 1.0 Se Se58 1 0.37559900 0.37252800 0.35610900 1.0 Se Se59 1 0.65792800 0.96188000 0.75000000 1.0 Se Se60 1 0.32707000 0.29168100 0.95194100 1.0 Se Se61 1 0.00000000 0.00000000 0.66118700 1.0 Se Se62 1 0.33333300 0.66666700 0.96811700 1.0 Se Se63 1 0.29168100 0.96461100 0.04805900 1.0 Se Se64 1 0.69604800 0.65792800 0.25000000 1.0 Se Se65 1 0.62440100 0.62747200 0.64389100 1.0 Se Se66 1 0.00000000 0.00000000 0.16118700 1.0 Se Se67 1 0.37559900 0.37252800 0.14389100 1.0