# generated using pymatgen data_Ti8Mo3Ir4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22421233 _cell_length_b 4.38650770 _cell_length_c 8.76789352 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99996414 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Mo3Ir4Ru _chemical_formula_sum 'Ti8 Mo3 Ir4 Ru1' _cell_volume 239.38589791 _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 0.00134922 0.74999900 0.12499977 1.0 Ti Ti1 1 0.49864699 0.74999900 0.12499937 1.0 Ti Ti2 1 0.00032298 0.24999900 0.37547279 1.0 Ti Ti3 1 0.49968349 0.24999900 0.37547295 1.0 Ti Ti4 1 0.50028060 0.74999900 0.62500027 1.0 Ti Ti5 1 0.99972649 0.74999900 0.62500054 1.0 Ti Ti6 1 0.49969138 0.24999900 0.87452786 1.0 Ti Ti7 1 0.00032823 0.24999900 0.87452882 1.0 Mo Mo8 1 0.24997835 0.74999900 0.37320944 1.0 Mo Mo9 1 0.75002860 0.24999900 0.62500156 1.0 Mo Mo10 1 0.24998389 0.74999900 0.87679003 1.0 Ir Ir11 1 0.24997371 0.24999900 0.12498925 1.0 Ir Ir12 1 0.75002381 0.74999900 0.37227939 1.0 Ir Ir13 1 0.24997045 0.24999900 0.62501102 1.0 Ir Ir14 1 0.75003040 0.74999900 0.87772300 1.0 Ru Ru15 1 0.74998240 0.24999900 0.12499195 1.0