# generated using pymatgen data_Sc3CuSn3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60000373 _cell_length_b 7.60000384 _cell_length_c 6.72232359 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999523 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3CuSn3Ru2 _chemical_formula_sum 'Sc6 Cu2 Sn6 Ru4' _cell_volume 336.26191656 _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 Sc Sc0 1 0.37051448 0.97464649 0.25000000 1.0 Sc Sc1 1 0.60413201 0.62948552 0.25000000 1.0 Sc Sc2 1 0.02535351 0.39586799 0.25000000 1.0 Sc Sc3 1 0.36988851 0.97404688 0.75000000 1.0 Sc Sc4 1 0.60415837 0.63011149 0.75000000 1.0 Sc Sc5 1 0.02595312 0.39584163 0.75000000 1.0 Cu Cu6 1 0.66666700 0.33333300 0.99232658 1.0 Cu Cu7 1 0.66666700 0.33333300 0.50767342 1.0 Sn Sn8 1 0.72244533 0.01427518 0.99971047 1.0 Sn Sn9 1 0.29182985 0.27755467 0.50028953 1.0 Sn Sn10 1 0.98572482 0.70817015 0.50028953 1.0 Sn Sn11 1 0.98572482 0.70817015 0.99971047 1.0 Sn Sn12 1 0.29182985 0.27755467 0.99971047 1.0 Sn Sn13 1 0.72244533 0.01427518 0.50028953 1.0 Ru Ru14 1 0.33333300 0.66666700 0.00030156 1.0 Ru Ru15 1 0.33333300 0.66666700 0.49969844 1.0 Ru Ru16 1 0.00000000 0.00000000 0.25000000 1.0 Ru Ru17 1 0.00000000 0.00000000 0.75000000 1.0