# generated using pymatgen data_Ti8Re3Tc4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20426858 _cell_length_b 4.37731505 _cell_length_c 8.75460781 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00008411 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Re3Tc4Ir _chemical_formula_sum 'Ti8 Re3 Tc4 Ir1' _cell_volume 237.75797372 _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 0.00054560 0.74999900 0.12571792 1.0 Ti Ti1 1 0.49949565 0.74999900 0.12572159 1.0 Ti Ti2 1 0.99886743 0.24999900 0.37501615 1.0 Ti Ti3 1 0.50117382 0.24999900 0.37502115 1.0 Ti Ti4 1 0.49945662 0.74999900 0.62427566 1.0 Ti Ti5 1 0.00049287 0.74999900 0.62427620 1.0 Ti Ti6 1 0.49790873 0.24999900 0.87497878 1.0 Ti Ti7 1 0.00204857 0.24999900 0.87497988 1.0 Re Re8 1 0.25001776 0.24999900 0.12356936 1.0 Re Re9 1 0.75001812 0.74999900 0.37504052 1.0 Re Re10 1 0.24998295 0.24999900 0.62642440 1.0 Tc Tc11 1 0.75002085 0.24999900 0.12456639 1.0 Tc Tc12 1 0.25002323 0.74999900 0.37502990 1.0 Tc Tc13 1 0.74997027 0.24999900 0.62542698 1.0 Tc Tc14 1 0.24997575 0.74999900 0.87496749 1.0 Ir Ir15 1 0.75000178 0.74999900 0.87498765 1.0