# generated using pymatgen data_K2Mo15S19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.70164897 _cell_length_b 19.70164897 _cell_length_c 19.70164884 _cell_angle_alpha 27.87906970 _cell_angle_beta 27.87906970 _cell_angle_gamma 27.87907122 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Mo15S19 _chemical_formula_sum 'K4 Mo30 S38' _cell_volume 1476.64622590 _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 K K0 1 0.88744200 0.88744200 0.88744200 1.0 K K1 1 0.38744200 0.38744200 0.38744200 1.0 K K2 1 0.11255800 0.11255800 0.11255800 1.0 K K3 1 0.61255800 0.61255800 0.61255800 1.0 Mo Mo4 1 0.13383300 0.80649000 0.99804400 1.0 Mo Mo5 1 0.78112500 0.95931000 0.63084600 1.0 Mo Mo6 1 0.49804400 0.30649000 0.63383300 1.0 Mo Mo7 1 0.86915400 0.54069000 0.71887500 1.0 Mo Mo8 1 0.75000000 0.58533900 0.91466100 1.0 Mo Mo9 1 0.58533900 0.91466100 0.75000000 1.0 Mo Mo10 1 0.19351000 0.00195600 0.86616700 1.0 Mo Mo11 1 0.45931000 0.28112500 0.13084600 1.0 Mo Mo12 1 0.80649000 0.99804400 0.13383300 1.0 Mo Mo13 1 0.04069000 0.36915400 0.21887500 1.0 Mo Mo14 1 0.95931000 0.63084600 0.78112500 1.0 Mo Mo15 1 0.30649000 0.63383300 0.49804400 1.0 Mo Mo16 1 0.41466100 0.08533900 0.25000000 1.0 Mo Mo17 1 0.91466100 0.75000000 0.58533900 1.0 Mo Mo18 1 0.25000000 0.41466100 0.08533900 1.0 Mo Mo19 1 0.00195600 0.86616700 0.19351000 1.0 Mo Mo20 1 0.69351000 0.36616700 0.50195600 1.0 Mo Mo21 1 0.71887500 0.86915400 0.54069000 1.0 Mo Mo22 1 0.54069000 0.71887500 0.86915400 1.0 Mo Mo23 1 0.28112500 0.13084600 0.45931000 1.0 Mo Mo24 1 0.50195600 0.69351000 0.36616700 1.0 Mo Mo25 1 0.21887500 0.04069000 0.36915400 1.0 Mo Mo26 1 0.63383300 0.49804400 0.30649000 1.0 Mo Mo27 1 0.63084600 0.78112500 0.95931000 1.0 Mo Mo28 1 0.36616700 0.50195600 0.69351000 1.0 Mo Mo29 1 0.36915400 0.21887500 0.04069000 1.0 Mo Mo30 1 0.86616700 0.19351000 0.00195600 1.0 Mo Mo31 1 0.08533900 0.25000000 0.41466100 1.0 Mo Mo32 1 0.99804400 0.13383300 0.80649000 1.0 Mo Mo33 1 0.13084600 0.45931000 0.28112500 1.0 S S34 1 0.19335500 0.52122900 0.92721600 1.0 S S35 1 0.07278400 0.80664500 0.47877100 1.0 S S36 1 0.92721600 0.19335500 0.52122900 1.0 S S37 1 0.94919200 0.55080800 0.25000000 1.0 S S38 1 0.30664500 0.57278400 0.97877100 1.0 S S39 1 0.45093300 0.79745300 0.20240600 1.0 S S40 1 0.55340800 0.55340800 0.55340800 1.0 S S41 1 0.94659200 0.94659200 0.94659200 1.0 S S42 1 0.95093300 0.70240600 0.29745300 1.0 S S43 1 0.20254700 0.79759400 0.54906700 1.0 S S44 1 0.32310300 0.32310300 0.32310300 1.0 S S45 1 0.17689700 0.17689700 0.17689700 1.0 S S46 1 0.82310300 0.82310300 0.82310300 1.0 S S47 1 0.70240600 0.29745300 0.95093300 1.0 S S48 1 0.80664500 0.47877100 0.07278400 1.0 S S49 1 0.29745300 0.95093300 0.70240600 1.0 S S50 1 0.57278400 0.97877100 0.30664500 1.0 S S51 1 0.04906700 0.29759400 0.70254700 1.0 S S52 1 0.70254700 0.04906700 0.29759400 1.0 S S53 1 0.42721600 0.02122900 0.69335500 1.0 S S54 1 0.52122900 0.92721600 0.19335500 1.0 S S55 1 0.69335500 0.42721600 0.02122900 1.0 S S56 1 0.55080800 0.25000000 0.94919200 1.0 S S57 1 0.44919200 0.75000000 0.05080800 1.0 S S58 1 0.25000000 0.94919200 0.55080800 1.0 S S59 1 0.54906700 0.20254700 0.79759400 1.0 S S60 1 0.79759400 0.54906700 0.20254700 1.0 S S61 1 0.79745300 0.20240600 0.45093300 1.0 S S62 1 0.05340800 0.05340800 0.05340800 1.0 S S63 1 0.02122900 0.69335500 0.42721600 1.0 S S64 1 0.97877100 0.30664500 0.57278400 1.0 S S65 1 0.47877100 0.07278400 0.80664500 1.0 S S66 1 0.05080800 0.44919200 0.75000000 1.0 S S67 1 0.29759400 0.70254700 0.04906700 1.0 S S68 1 0.20240600 0.45093300 0.79745300 1.0 S S69 1 0.67689700 0.67689700 0.67689700 1.0 S S70 1 0.75000000 0.05080800 0.44919200 1.0 S S71 1 0.44659200 0.44659200 0.44659200 1.0