# generated using pymatgen data_Tm4As6Ir5Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17890838 _cell_length_b 7.17890772 _cell_length_c 7.17890781 _cell_angle_alpha 109.43014936 _cell_angle_beta 109.55339329 _cell_angle_gamma 109.43014480 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4As6Ir5Ru2 _chemical_formula_sum 'Tm4 As6 Ir5 Ru2' _cell_volume 284.80829092 _cell_formula_units_Z 1 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 Tm Tm0 1 0.00029405 0.00058709 0.50029405 1.0 Tm Tm1 1 0.49970595 0.99941291 0.99970595 1.0 Tm Tm2 1 0.00029405 0.50000000 0.99970595 1.0 Tm Tm3 1 0.49970595 0.50000000 0.50029405 1.0 As As4 1 0.68018020 0.68314372 0.99703548 1.0 As As5 1 0.31389076 0.31685628 0.99703548 1.0 As As6 1 0.00296452 0.68314372 0.68610924 1.0 As As7 1 0.00296452 0.31685628 0.31981980 1.0 As As8 1 0.68514475 0.00000000 0.68514475 1.0 As As9 1 0.31485525 1.00000000 0.31485525 1.0 Ir Ir10 1 0.74937291 0.24936172 0.50001019 1.0 Ir Ir11 1 0.49998981 0.24936172 0.74935152 1.0 Ir Ir12 1 0.49998981 0.75063828 0.25062709 1.0 Ir Ir13 1 0.75000000 0.50000000 0.25000000 1.0 Ir Ir14 1 0.25064848 0.75063828 0.50001019 1.0 Ru Ru15 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru16 1 0.25000000 0.50000000 0.75000000 1.0