# generated using pymatgen data_Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 20.57848708 _cell_length_b 20.57848708 _cell_length_c 20.57848667 _cell_angle_alpha 27.20918157 _cell_angle_beta 27.20918157 _cell_angle_gamma 27.20918429 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo15Se19 _chemical_formula_sum 'Mo30 Se38' _cell_volume 1607.45398722 _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 0.75000000 0.91067400 0.58932600 1.0 Mo Mo1 1 0.99776900 0.19011600 0.87164700 1.0 Mo Mo2 1 0.63439500 0.95607300 0.77622300 1.0 Mo Mo3 1 0.62835300 0.30988400 0.50223100 1.0 Mo Mo4 1 0.50223100 0.62835300 0.30988400 1.0 Mo Mo5 1 0.12835300 0.00223100 0.80988400 1.0 Mo Mo6 1 0.37164700 0.69011600 0.49776900 1.0 Mo Mo7 1 0.41067400 0.25000000 0.08932600 1.0 Mo Mo8 1 0.27622300 0.45607300 0.13439500 1.0 Mo Mo9 1 0.00223100 0.80988400 0.12835300 1.0 Mo Mo10 1 0.22377700 0.36560500 0.04392700 1.0 Mo Mo11 1 0.80988400 0.12835300 0.00223100 1.0 Mo Mo12 1 0.58932600 0.75000000 0.91067400 1.0 Mo Mo13 1 0.25000000 0.08932600 0.41067400 1.0 Mo Mo14 1 0.95607300 0.77622300 0.63439500 1.0 Mo Mo15 1 0.19011600 0.87164700 0.99776900 1.0 Mo Mo16 1 0.30988400 0.50223100 0.62835300 1.0 Mo Mo17 1 0.08932600 0.41067400 0.25000000 1.0 Mo Mo18 1 0.45607300 0.13439500 0.27622300 1.0 Mo Mo19 1 0.13439500 0.27622300 0.45607300 1.0 Mo Mo20 1 0.77622300 0.63439500 0.95607300 1.0 Mo Mo21 1 0.54392700 0.86560500 0.72377700 1.0 Mo Mo22 1 0.72377700 0.54392700 0.86560500 1.0 Mo Mo23 1 0.49776900 0.37164700 0.69011600 1.0 Mo Mo24 1 0.87164700 0.99776900 0.19011600 1.0 Mo Mo25 1 0.36560500 0.04392700 0.22377700 1.0 Mo Mo26 1 0.04392700 0.22377700 0.36560500 1.0 Mo Mo27 1 0.91067400 0.58932600 0.75000000 1.0 Mo Mo28 1 0.69011600 0.49776900 0.37164700 1.0 Mo Mo29 1 0.86560500 0.72377700 0.54392700 1.0 Se Se30 1 0.05294900 0.68875600 0.30627800 1.0 Se Se31 1 0.81124400 0.44705100 0.19372200 1.0 Se Se32 1 0.55294900 0.80627800 0.18875600 1.0 Se Se33 1 0.08048600 0.46124300 0.81394400 1.0 Se Se34 1 0.44705100 0.19372200 0.81124400 1.0 Se Se35 1 0.18875600 0.55294900 0.80627800 1.0 Se Se36 1 0.17717400 0.17717400 0.17717400 1.0 Se Se37 1 0.68875600 0.30627800 0.05294900 1.0 Se Se38 1 0.03875700 0.41951400 0.68605600 1.0 Se Se39 1 0.91951400 0.53875700 0.18605600 1.0 Se Se40 1 0.41951400 0.68605600 0.03875700 1.0 Se Se41 1 0.05977000 0.75000000 0.44023000 1.0 Se Se42 1 0.69372200 0.94705100 0.31124400 1.0 Se Se43 1 0.94705100 0.31124400 0.69372200 1.0 Se Se44 1 0.67717400 0.67717400 0.67717400 1.0 Se Se45 1 0.30627800 0.05294900 0.68875600 1.0 Se Se46 1 0.53875700 0.18605600 0.91951400 1.0 Se Se47 1 0.82282600 0.82282600 0.82282600 1.0 Se Se48 1 0.44023000 0.05977000 0.75000000 1.0 Se Se49 1 0.05388400 0.05388400 0.05388400 1.0 Se Se50 1 0.19372200 0.81124400 0.44705100 1.0 Se Se51 1 0.80627800 0.18875600 0.55294900 1.0 Se Se52 1 0.81394400 0.08048600 0.46124300 1.0 Se Se53 1 0.46124300 0.81394400 0.08048600 1.0 Se Se54 1 0.94023000 0.25000000 0.55977000 1.0 Se Se55 1 0.44611600 0.44611600 0.44611600 1.0 Se Se56 1 0.31124400 0.69372200 0.94705100 1.0 Se Se57 1 0.25000000 0.55977000 0.94023000 1.0 Se Se58 1 0.68605600 0.03875700 0.41951400 1.0 Se Se59 1 0.75000000 0.44023000 0.05977000 1.0 Se Se60 1 0.18605600 0.91951400 0.53875700 1.0 Se Se61 1 0.32282600 0.32282600 0.32282600 1.0 Se Se62 1 0.58048600 0.31394400 0.96124300 1.0 Se Se63 1 0.96124300 0.58048600 0.31394400 1.0 Se Se64 1 0.55388400 0.55388400 0.55388400 1.0 Se Se65 1 0.55977000 0.94023000 0.25000000 1.0 Se Se66 1 0.31394400 0.96124300 0.58048600 1.0 Se Se67 1 0.94611600 0.94611600 0.94611600 1.0