# generated using pymatgen data_Ti8Mn4Ir3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05556782 _cell_length_b 4.28709256 _cell_length_c 8.57267899 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99991094 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Mn4Ir3Ru _chemical_formula_sum 'Ti8 Mn4 Ir3 Ru1' _cell_volume 222.55343079 _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 0.00320574 0.74999900 0.12499889 1.0 Ti Ti1 1 0.49680100 0.74999900 0.12500273 1.0 Ti Ti2 1 0.00158298 0.24999900 0.37276089 1.0 Ti Ti3 1 0.49844728 0.24999900 0.37276531 1.0 Ti Ti4 1 0.50011108 0.74999900 0.62499520 1.0 Ti Ti5 1 0.99987034 0.74999900 0.62499821 1.0 Ti Ti6 1 0.49842803 0.24999900 0.87723349 1.0 Ti Ti7 1 0.00156177 0.24999900 0.87723659 1.0 Mn Mn8 1 0.74998582 0.24999900 0.12500321 1.0 Mn Mn9 1 0.25000742 0.74999900 0.37653578 1.0 Mn Mn10 1 0.74999996 0.24999900 0.62499956 1.0 Mn Mn11 1 0.24999398 0.74999900 0.87346879 1.0 Ir Ir12 1 0.75000772 0.74999900 0.37498913 1.0 Ir Ir13 1 0.24999773 0.24999900 0.62500002 1.0 Ir Ir14 1 0.74999455 0.74999900 0.87501059 1.0 Ru Ru15 1 0.25000059 0.24999900 0.12500261 1.0