# generated using pymatgen data_Ti8Tc4Ir3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17002974 _cell_length_b 4.36791922 _cell_length_c 8.73508285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00006213 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Tc4Ir3Ru _chemical_formula_sum 'Ti8 Tc4 Ir3 Ru1' _cell_volume 235.41215575 _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 Ti Ti0 1 0.99854032 0.75000000 0.12282758 1.0 Ti Ti1 1 0.50144542 0.75000000 0.12282783 1.0 Ti Ti2 1 0.00010855 0.25000000 0.37499951 1.0 Ti Ti3 1 0.49987262 0.25000000 0.37500032 1.0 Ti Ti4 1 0.50146304 0.75000000 0.62717408 1.0 Ti Ti5 1 0.99855642 0.75000000 0.62717458 1.0 Ti Ti6 1 0.50299826 0.25000000 0.87499925 1.0 Ti Ti7 1 0.99701610 0.25000000 0.87500050 1.0 Tc Tc8 1 0.74998728 0.25000000 0.12619738 1.0 Tc Tc9 1 0.24999833 0.75000000 0.37499955 1.0 Tc Tc10 1 0.75000306 0.25000000 0.62380279 1.0 Tc Tc11 1 0.25001484 0.75000000 0.87500004 1.0 Ir Ir12 1 0.24999845 0.25000000 0.12509550 1.0 Ir Ir13 1 0.74999002 0.75000000 0.37499992 1.0 Ir Ir14 1 0.25000765 0.25000000 0.62490183 1.0 Ru Ru15 1 0.75000364 0.75000000 0.87500035 1.0