# generated using pymatgen data_CsIrRhS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16878746 _cell_length_b 7.17618503 _cell_length_c 15.94091246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsIrRhS4 _chemical_formula_sum 'Cs4 Ir4 Rh4 S16' _cell_volume 705.67805563 _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 0.35503142 0.00000000 0.00000000 1.0 Cs Cs1 1 0.64496858 0.50000000 0.50000000 1.0 Cs Cs2 1 0.02356591 0.00000000 0.50000000 1.0 Cs Cs3 1 0.97643409 0.50000000 0.00000000 1.0 Ir Ir4 1 0.50000000 0.25000000 0.25000000 1.0 Ir Ir5 1 0.50000000 0.75000000 0.75000000 1.0 Ir Ir6 1 0.50000000 0.75000000 0.25000000 1.0 Ir Ir7 1 0.50000000 0.25000000 0.75000000 1.0 Rh Rh8 1 0.00291216 0.00000000 0.25032895 1.0 Rh Rh9 1 0.00291216 0.00000000 0.74967105 1.0 Rh Rh10 1 0.99708784 0.50000000 0.24967105 1.0 Rh Rh11 1 0.99708784 0.50000000 0.75032895 1.0 S S12 1 0.83427937 0.25037245 0.32463928 1.0 S S13 1 0.83427937 0.74962755 0.67536072 1.0 S S14 1 0.16572063 0.75037245 0.17536072 1.0 S S15 1 0.16572063 0.24962755 0.82463928 1.0 S S16 1 0.16572063 0.24962755 0.17536072 1.0 S S17 1 0.16572063 0.75037245 0.82463928 1.0 S S18 1 0.83427937 0.74962755 0.32463928 1.0 S S19 1 0.83427937 0.25037245 0.67536072 1.0 S S20 1 0.66832299 0.00000000 0.17570713 1.0 S S21 1 0.66832299 0.00000000 0.82429287 1.0 S S22 1 0.33167701 0.50000000 0.32429287 1.0 S S23 1 0.33167701 0.50000000 0.67570713 1.0 S S24 1 0.34086902 0.00000000 0.32570396 1.0 S S25 1 0.34086902 0.00000000 0.67429604 1.0 S S26 1 0.65913098 0.50000000 0.17429604 1.0 S S27 1 0.65913098 0.50000000 0.82570396 1.0