# generated using pymatgen data_Sc4Ta3TiRu8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31630762 _cell_length_b 4.47398047 _cell_length_c 8.94626742 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99967060 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Ta3TiRu8 _chemical_formula_sum 'Sc4 Ta3 Ti1 Ru8' _cell_volume 252.81290177 _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 Sc Sc0 1 0.75003564 0.25000000 0.12498977 1.0 Sc Sc1 1 0.25003141 0.75000000 0.37165542 1.0 Sc Sc2 1 0.74996770 0.25000000 0.62499498 1.0 Sc Sc3 1 0.24997549 0.75000000 0.87836222 1.0 Ta Ta4 1 0.75002393 0.75000000 0.37343344 1.0 Ta Ta5 1 0.24996215 0.25000000 0.62500874 1.0 Ta Ta6 1 0.74997340 0.75000000 0.87656444 1.0 Ti Ti7 1 0.25003997 0.25000000 0.12500493 1.0 Ru Ru8 1 0.50093770 0.75000000 0.12498951 1.0 Ru Ru9 1 0.99909365 0.75000000 0.12499400 1.0 Ru Ru10 1 0.50014819 0.25000000 0.37567654 1.0 Ru Ru11 1 0.99988744 0.25000000 0.37568558 1.0 Ru Ru12 1 0.00077988 0.75000000 0.62499135 1.0 Ru Ru13 1 0.49918507 0.75000000 0.62499865 1.0 Ru Ru14 1 0.99984624 0.25000000 0.87432014 1.0 Ru Ru15 1 0.50011313 0.25000000 0.87432829 1.0