# generated using pymatgen data_Th2Ir6Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32053294 _cell_length_b 5.32053379 _cell_length_c 13.61231714 _cell_angle_alpha 78.73009610 _cell_angle_beta 78.73010497 _cell_angle_gamma 60.00000282 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Ir6Rh _chemical_formula_sum 'Th4 Ir12 Rh2' _cell_volume 325.10486056 _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 Th Th0 1 0.95087203 0.95087203 0.14738692 1.0 Th Th1 1 0.04912797 0.04912797 0.85261308 1.0 Th Th2 1 0.85346766 0.85346766 0.43959502 1.0 Th Th3 1 0.14653234 0.14653234 0.56040498 1.0 Ir Ir4 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir5 1 0.61112882 0.61112882 0.16661453 1.0 Ir Ir6 1 0.38887118 0.38887118 0.83338547 1.0 Ir Ir7 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir8 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir9 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir10 1 0.38923851 0.38923851 0.32922031 1.0 Ir Ir11 1 0.89230168 0.38923851 0.32922031 1.0 Ir Ir12 1 0.38923851 0.89230168 0.32922031 1.0 Ir Ir13 1 0.61076149 0.61076149 0.67077969 1.0 Ir Ir14 1 0.10769832 0.61076149 0.67077969 1.0 Ir Ir15 1 0.61076149 0.10769832 0.67077969 1.0 Rh Rh16 1 0.72206551 0.72206551 0.83380146 1.0 Rh Rh17 1 0.27793449 0.27793449 0.16619854 1.0