# generated using pymatgen data_Mo15S19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29490624 _cell_length_b 9.29490624 _cell_length_c 19.20446100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000171 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo15S19 _chemical_formula_sum 'Mo30 S38' _cell_volume 1436.88752232 _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 0.84169900 0.34660100 0.25000000 1.0 Mo Mo1 1 0.49509800 0.84169900 0.75000000 1.0 Mo Mo2 1 0.34660100 0.50490200 0.75000000 1.0 Mo Mo3 1 0.65339900 0.49509800 0.25000000 1.0 Mo Mo4 1 0.50490200 0.15830100 0.25000000 1.0 Mo Mo5 1 0.15830100 0.65339900 0.75000000 1.0 Mo Mo6 1 0.31615500 0.82743300 0.62984700 1.0 Mo Mo7 1 0.48872300 0.31615500 0.12984700 1.0 Mo Mo8 1 0.82743300 0.51127700 0.12984700 1.0 Mo Mo9 1 0.17256700 0.48872300 0.62984700 1.0 Mo Mo10 1 0.51127700 0.68384500 0.62984700 1.0 Mo Mo11 1 0.68384500 0.17256700 0.12984700 1.0 Mo Mo12 1 0.68384500 0.17256700 0.37015300 1.0 Mo Mo13 1 0.51127700 0.68384500 0.87015300 1.0 Mo Mo14 1 0.17256700 0.48872300 0.87015300 1.0 Mo Mo15 1 0.82743300 0.51127700 0.37015300 1.0 Mo Mo16 1 0.48872300 0.31615500 0.37015300 1.0 Mo Mo17 1 0.31615500 0.82743300 0.87015300 1.0 Mo Mo18 1 0.17673300 0.01711200 0.43704900 1.0 Mo Mo19 1 0.15962000 0.17673300 0.93704900 1.0 Mo Mo20 1 0.01711200 0.84038000 0.93704900 1.0 Mo Mo21 1 0.98288800 0.15962000 0.43704900 1.0 Mo Mo22 1 0.84038000 0.82326700 0.43704900 1.0 Mo Mo23 1 0.82326700 0.98288800 0.93704900 1.0 Mo Mo24 1 0.82326700 0.98288800 0.56295100 1.0 Mo Mo25 1 0.84038000 0.82326700 0.06295100 1.0 Mo Mo26 1 0.98288800 0.15962000 0.06295100 1.0 Mo Mo27 1 0.01711200 0.84038000 0.56295100 1.0 Mo Mo28 1 0.15962000 0.17673300 0.56295100 1.0 Mo Mo29 1 0.17673300 0.01711200 0.06295100 1.0 S S30 1 0.66666700 0.33333300 0.46579600 1.0 S S31 1 0.33333300 0.66666700 0.96579600 1.0 S S32 1 0.33333300 0.66666700 0.53420400 1.0 S S33 1 0.66666700 0.33333300 0.03420400 1.0 S S34 1 0.00000000 0.00000000 0.65876700 1.0 S S35 1 0.00000000 0.00000000 0.15876700 1.0 S S36 1 0.00000000 0.00000000 0.34123300 1.0 S S37 1 0.00000000 0.00000000 0.84123300 1.0 S S38 1 0.69397700 0.04285200 0.25000000 1.0 S S39 1 0.65112400 0.69397700 0.75000000 1.0 S S40 1 0.04285200 0.34887600 0.75000000 1.0 S S41 1 0.95714800 0.65112400 0.25000000 1.0 S S42 1 0.34887600 0.30602300 0.25000000 1.0 S S43 1 0.30602300 0.95714800 0.75000000 1.0 S S44 1 0.01585200 0.63368200 0.64272700 1.0 S S45 1 0.38217000 0.01585200 0.14272700 1.0 S S46 1 0.71394900 0.68509200 0.54764900 1.0 S S47 1 0.63368200 0.61783000 0.14272700 1.0 S S48 1 0.61783000 0.98414800 0.64272700 1.0 S S49 1 0.98414800 0.36631800 0.14272700 1.0 S S50 1 0.98414800 0.36631800 0.35727300 1.0 S S51 1 0.61783000 0.98414800 0.85727300 1.0 S S52 1 0.36631800 0.38217000 0.85727300 1.0 S S53 1 0.63368200 0.61783000 0.35727300 1.0 S S54 1 0.38217000 0.01585200 0.35727300 1.0 S S55 1 0.01585200 0.63368200 0.85727300 1.0 S S56 1 0.31490800 0.02885700 0.54764900 1.0 S S57 1 0.28605100 0.31490800 0.04764900 1.0 S S58 1 0.02885700 0.71394900 0.04764900 1.0 S S59 1 0.97114300 0.28605100 0.54764900 1.0 S S60 1 0.31490800 0.02885700 0.95235100 1.0 S S61 1 0.28605100 0.31490800 0.45235100 1.0 S S62 1 0.02885700 0.71394900 0.45235100 1.0 S S63 1 0.97114300 0.28605100 0.95235100 1.0 S S64 1 0.71394900 0.68509200 0.95235100 1.0 S S65 1 0.68509200 0.97114300 0.45235100 1.0 S S66 1 0.68509200 0.97114300 0.04764900 1.0 S S67 1 0.36631800 0.38217000 0.64272700 1.0