# generated using pymatgen data_Ti8Re3MoIr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19530763 _cell_length_b 4.38874558 _cell_length_c 8.77580213 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99995205 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Re3MoIr4 _chemical_formula_sum 'Ti8 Re3 Mo1 Ir4' _cell_volume 238.61080379 _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 0.99961951 0.75000100 0.12500121 1.0 Ti Ti1 1 0.50040939 0.75000100 0.12500181 1.0 Ti Ti2 1 0.99963053 0.24999900 0.37477719 1.0 Ti Ti3 1 0.50041473 0.24999900 0.37477770 1.0 Ti Ti4 1 0.50031660 0.75000100 0.62500040 1.0 Ti Ti5 1 0.99964396 0.75000100 0.62500079 1.0 Ti Ti6 1 0.50038057 0.24999900 0.87521780 1.0 Ti Ti7 1 0.99959318 0.24999900 0.87522172 1.0 Re Re8 1 0.25000874 0.75000100 0.37563082 1.0 Re Re9 1 0.74998759 0.24999900 0.62499406 1.0 Re Re10 1 0.24997668 0.75000100 0.87437252 1.0 Mo Mo11 1 0.75002306 0.24999900 0.12500054 1.0 Ir Ir12 1 0.25001468 0.24999900 0.12499966 1.0 Ir Ir13 1 0.75001789 0.75000100 0.37614022 1.0 Ir Ir14 1 0.24997703 0.24999900 0.62499830 1.0 Ir Ir15 1 0.74998688 0.75000100 0.87386426 1.0