# generated using pymatgen data_Co2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.68765360 _cell_length_b 14.68765360 _cell_length_c 14.68765360 _cell_angle_alpha 154.11969332 _cell_angle_beta 154.11969332 _cell_angle_gamma 36.92565603 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2S3 _chemical_formula_sum 'Co16 S24' _cell_volume 602.84395953 _cell_formula_units_Z 8 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 Co Co0 1 0.66778400 0.66778400 0.00000000 1.0 Co Co1 1 0.33221600 0.33221600 0.00000000 1.0 Co Co2 1 0.04026600 0.79248600 0.24778000 1.0 Co Co3 1 0.41778400 0.91778400 0.50000000 1.0 Co Co4 1 0.54248600 0.29026600 0.74778000 1.0 Co Co5 1 0.70973400 0.45751400 0.25222000 1.0 Co Co6 1 0.08221600 0.58221600 0.50000000 1.0 Co Co7 1 0.20751400 0.95973400 0.75222000 1.0 Co Co8 1 0.54248600 0.79470500 0.25222000 1.0 Co Co9 1 0.87500000 0.12500000 0.75000000 1.0 Co Co10 1 0.37500000 0.12500000 0.25000000 1.0 Co Co11 1 0.87500000 0.62500000 0.75000000 1.0 Co Co12 1 0.20751400 0.45529500 0.24778000 1.0 Co Co13 1 0.54470500 0.79248600 0.75222000 1.0 Co Co14 1 0.87500000 0.12500000 0.25000000 1.0 Co Co15 1 0.20529500 0.45751400 0.74778000 1.0 S S16 1 0.10819100 0.87310700 0.23508400 1.0 S S17 1 0.46151000 0.22105700 0.75954700 1.0 S S18 1 0.77894300 0.53849000 0.24045300 1.0 S S19 1 0.11197700 0.37689300 0.73508400 1.0 S S20 1 0.46151000 0.70196300 0.24045300 1.0 S S21 1 0.62310700 0.88802300 0.26491600 1.0 S S22 1 0.12689300 0.89180900 0.76491600 1.0 S S23 1 0.43355000 0.20541000 0.22814100 1.0 S S24 1 0.77273100 0.04459000 0.72814100 1.0 S S25 1 0.97726900 0.20541000 0.77185900 1.0 S S26 1 0.12689300 0.36197700 0.23508400 1.0 S S27 1 0.62310700 0.35819100 0.73508400 1.0 S S28 1 0.28849000 0.54803700 0.25954700 1.0 S S29 1 0.79459000 0.56645000 0.77185900 1.0 S S30 1 0.97105700 0.71151000 0.25954700 1.0 S S31 1 0.45196300 0.71151000 0.74045300 1.0 S S32 1 0.63802300 0.87310700 0.76491600 1.0 S S33 1 0.79459000 0.02273100 0.22814100 1.0 S S34 1 0.28849000 0.02894300 0.74045300 1.0 S S35 1 0.95541000 0.22726900 0.27185900 1.0 S S36 1 0.64180900 0.37689300 0.26491600 1.0 S S37 1 0.29803700 0.53849000 0.75954700 1.0 S S38 1 0.95541000 0.68355000 0.72814100 1.0 S S39 1 0.31645000 0.04459000 0.27185900 1.0