# generated using pymatgen data_Cs(IrS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24291576 _cell_length_b 7.18208571 _cell_length_c 15.89146586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs(IrS2)2 _chemical_formula_sum 'Cs4 Ir8 S16' _cell_volume 712.52813541 _cell_formula_units_Z 4 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 0.36195256 0.00000000 0.00000000 1.0 Cs Cs1 1 0.63804744 0.50000000 0.50000000 1.0 Cs Cs2 1 0.02521384 0.00000000 0.50000000 1.0 Cs Cs3 1 0.97478616 0.50000000 0.00000000 1.0 Ir Ir4 1 0.00262610 0.00000000 0.25045909 1.0 Ir Ir5 1 0.00262610 0.00000000 0.74954091 1.0 Ir Ir6 1 0.99737390 0.50000000 0.24954091 1.0 Ir Ir7 1 0.99737390 0.50000000 0.75045909 1.0 Ir Ir8 1 0.50000000 0.25000000 0.25000000 1.0 Ir Ir9 1 0.50000000 0.75000000 0.75000000 1.0 Ir Ir10 1 0.50000000 0.75000000 0.25000000 1.0 Ir Ir11 1 0.50000000 0.25000000 0.75000000 1.0 S S12 1 0.83306217 0.25024847 0.32417982 1.0 S S13 1 0.83306217 0.74975153 0.67582018 1.0 S S14 1 0.16693783 0.75024847 0.17582018 1.0 S S15 1 0.16693783 0.24975153 0.82417982 1.0 S S16 1 0.16693783 0.24975153 0.17582018 1.0 S S17 1 0.16693783 0.75024847 0.82417982 1.0 S S18 1 0.83306217 0.74975153 0.32417982 1.0 S S19 1 0.83306217 0.25024847 0.67582018 1.0 S S20 1 0.67118239 0.00000000 0.17683766 1.0 S S21 1 0.67118239 0.00000000 0.82316234 1.0 S S22 1 0.32881761 0.50000000 0.32316234 1.0 S S23 1 0.32881761 0.50000000 0.67683766 1.0 S S24 1 0.33697743 0.00000000 0.32446401 1.0 S S25 1 0.33697743 0.00000000 0.67553599 1.0 S S26 1 0.66302257 0.50000000 0.17553599 1.0 S S27 1 0.66302257 0.50000000 0.82446401 1.0