# generated using pymatgen data_Ti3Ga3Ru5Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29490753 _cell_length_b 6.20304500 _cell_length_c 12.84977352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00093904 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Ga3Ru5Au _chemical_formula_sum 'Ti6 Ga6 Ru10 Au2' _cell_volume 342.33730090 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.00000000 1.0 Ti Ti1 1 0.49991475 0.00000000 0.18074444 1.0 Ti Ti2 1 0.99993629 0.50000000 0.33661261 1.0 Ti Ti3 1 0.50000100 0.00000000 0.50000000 1.0 Ti Ti4 1 0.00006371 0.50000000 0.66338839 1.0 Ti Ti5 1 0.50008525 0.00000000 0.81925556 1.0 Ga Ga6 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga7 1 0.49991169 0.50000000 0.17584973 1.0 Ga Ga8 1 0.99992928 0.00000000 0.33547122 1.0 Ga Ga9 1 0.50000100 0.50000000 0.50000000 1.0 Ga Ga10 1 0.00007072 0.00000000 0.66452878 1.0 Ga Ga11 1 0.50008831 0.50000000 0.82415127 1.0 Ru Ru12 1 0.99992010 0.24970521 0.16315800 1.0 Ru Ru13 1 0.99992010 0.75029479 0.16315800 1.0 Ru Ru14 1 0.49993942 0.24902452 0.33340803 1.0 Ru Ru15 1 0.49993942 0.75097548 0.33340803 1.0 Ru Ru16 1 0.00000000 0.25083723 0.50000000 1.0 Ru Ru17 1 0.00000000 0.74916277 0.50000000 1.0 Ru Ru18 1 0.50006058 0.24902452 0.66659197 1.0 Ru Ru19 1 0.50006058 0.75097548 0.66659197 1.0 Ru Ru20 1 0.00007990 0.24970521 0.83684200 1.0 Ru Ru21 1 0.00007990 0.75029479 0.83684200 1.0 Au Au22 1 0.50000100 0.24673692 0.00000000 1.0 Au Au23 1 0.50000100 0.75326308 0.00000000 1.0