# generated using pymatgen data_K(MoS)9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89718145 _cell_length_b 8.89718145 _cell_length_c 13.17826500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999592 _symmetry_Int_Tables_number 1 _chemical_formula_structural K(MoS)9 _chemical_formula_sum 'K2 Mo18 S18' _cell_volume 903.42848880 _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 0.66666700 0.33333300 0.25000000 1.0 K K1 1 0.33333300 0.66666700 0.75000000 1.0 Mo Mo2 1 0.96844800 0.80978400 0.25000000 1.0 Mo Mo3 1 0.96727100 0.80719500 0.91674500 1.0 Mo Mo4 1 0.96727100 0.80719500 0.58325500 1.0 Mo Mo5 1 0.84133500 0.03155200 0.25000000 1.0 Mo Mo6 1 0.83992400 0.03272900 0.91674500 1.0 Mo Mo7 1 0.83992400 0.03272900 0.58325500 1.0 Mo Mo8 1 0.19021600 0.15866500 0.25000000 1.0 Mo Mo9 1 0.19280500 0.16007600 0.91674500 1.0 Mo Mo10 1 0.19280500 0.16007600 0.58325500 1.0 Mo Mo11 1 0.03272900 0.19280500 0.41674500 1.0 Mo Mo12 1 0.03272900 0.19280500 0.08325500 1.0 Mo Mo13 1 0.03155200 0.19021600 0.75000000 1.0 Mo Mo14 1 0.16007600 0.96727100 0.41674500 1.0 Mo Mo15 1 0.16007600 0.96727100 0.08325500 1.0 Mo Mo16 1 0.15866500 0.96844800 0.75000000 1.0 Mo Mo17 1 0.80719500 0.83992400 0.41674500 1.0 Mo Mo18 1 0.80719500 0.83992400 0.08325500 1.0 Mo Mo19 1 0.80978400 0.84133500 0.75000000 1.0 S S20 1 0.29033700 0.94141700 0.25000000 1.0 S S21 1 0.28917600 0.94006800 0.91612400 1.0 S S22 1 0.28917600 0.94006800 0.58387600 1.0 S S23 1 0.65108000 0.70966300 0.25000000 1.0 S S24 1 0.65089200 0.71082400 0.91612400 1.0 S S25 1 0.65089200 0.71082400 0.58387600 1.0 S S26 1 0.05858300 0.34892000 0.25000000 1.0 S S27 1 0.05993200 0.34910800 0.91612400 1.0 S S28 1 0.05993200 0.34910800 0.58387600 1.0 S S29 1 0.71082400 0.05993200 0.41612400 1.0 S S30 1 0.71082400 0.05993200 0.08387600 1.0 S S31 1 0.70966300 0.05858300 0.75000000 1.0 S S32 1 0.34910800 0.28917600 0.41612400 1.0 S S33 1 0.34910800 0.28917600 0.08387600 1.0 S S34 1 0.34892000 0.29033700 0.75000000 1.0 S S35 1 0.94006800 0.65089200 0.41612400 1.0 S S36 1 0.94006800 0.65089200 0.08387600 1.0 S S37 1 0.94141700 0.65108000 0.75000000 1.0