# generated using pymatgen data_Cs(MoS)9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42967963 _cell_length_b 9.42967963 _cell_length_c 13.12519800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999739 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs(MoS)9 _chemical_formula_sum 'Cs2 Mo18 S18' _cell_volume 1010.71888996 _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 Cs Cs0 1 0.66666700 0.33333300 0.25000000 1.0 Cs Cs1 1 0.33333300 0.66666700 0.75000000 1.0 Mo Mo2 1 0.17926200 0.02758500 0.25000000 1.0 Mo Mo3 1 0.18073700 0.02833100 0.58321600 1.0 Mo Mo4 1 0.18073700 0.02833100 0.91678400 1.0 Mo Mo5 1 0.97241500 0.15167700 0.25000000 1.0 Mo Mo6 1 0.97166900 0.15240500 0.58321600 1.0 Mo Mo7 1 0.97166900 0.15240500 0.91678400 1.0 Mo Mo8 1 0.84832300 0.82073800 0.25000000 1.0 Mo Mo9 1 0.84759500 0.81926300 0.58321600 1.0 Mo Mo10 1 0.84759500 0.81926300 0.91678400 1.0 Mo Mo11 1 0.81926300 0.97166900 0.08321600 1.0 Mo Mo12 1 0.81926300 0.97166900 0.41678400 1.0 Mo Mo13 1 0.82073800 0.97241500 0.75000000 1.0 Mo Mo14 1 0.02833100 0.84759500 0.08321600 1.0 Mo Mo15 1 0.02833100 0.84759500 0.41678400 1.0 Mo Mo16 1 0.02758500 0.84832300 0.75000000 1.0 Mo Mo17 1 0.15240500 0.18073700 0.08321600 1.0 Mo Mo18 1 0.15240500 0.18073700 0.41678400 1.0 Mo Mo19 1 0.15167700 0.17926200 0.75000000 1.0 S S20 1 0.05151200 0.72312500 0.25000000 1.0 S S21 1 0.05160400 0.72327100 0.58348600 1.0 S S22 1 0.05160400 0.72327100 0.91651400 1.0 S S23 1 0.27687500 0.32838800 0.25000000 1.0 S S24 1 0.27672900 0.32833300 0.58348600 1.0 S S25 1 0.27672900 0.32833300 0.91651400 1.0 S S26 1 0.67161200 0.94848800 0.25000000 1.0 S S27 1 0.67166700 0.94839600 0.58348600 1.0 S S28 1 0.67166700 0.94839600 0.91651400 1.0 S S29 1 0.94839600 0.27672900 0.08348600 1.0 S S30 1 0.94839600 0.27672900 0.41651400 1.0 S S31 1 0.94848800 0.27687500 0.75000000 1.0 S S32 1 0.72327100 0.67166700 0.08348600 1.0 S S33 1 0.72327100 0.67166700 0.41651400 1.0 S S34 1 0.72312500 0.67161200 0.75000000 1.0 S S35 1 0.32833300 0.05160400 0.08348600 1.0 S S36 1 0.32833300 0.05160400 0.41651400 1.0 S S37 1 0.32838800 0.05151200 0.75000000 1.0