# generated using pymatgen data_Sc2Si3Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.67309309 _cell_length_b 9.67309309 _cell_length_c 3.10364124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Si3Ru5 _chemical_formula_sum 'Sc4 Si6 Ru10' _cell_volume 290.40376861 _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 0.17157724 0.67157724 0.00000000 1.0 Sc Sc1 1 0.67157724 0.82842276 0.00000000 1.0 Sc Sc2 1 0.32842276 0.17157724 0.00000000 1.0 Sc Sc3 1 0.82842276 0.32842276 0.00000000 1.0 Si Si4 1 0.36981088 0.86981088 0.00000000 1.0 Si Si5 1 0.86981088 0.63018912 0.00000000 1.0 Si Si6 1 0.13018912 0.36981088 0.00000000 1.0 Si Si7 1 0.63018912 0.13018912 0.00000000 1.0 Si Si8 1 0.00000000 0.00000000 0.00000000 1.0 Si Si9 1 0.50000000 0.50000000 0.00000000 1.0 Ru Ru10 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru11 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru12 1 0.30038080 0.43255283 0.50000000 1.0 Ru Ru13 1 0.69962020 0.56744717 0.50000000 1.0 Ru Ru14 1 0.56744717 0.30038080 0.50000000 1.0 Ru Ru15 1 0.43255283 0.69962020 0.50000000 1.0 Ru Ru16 1 0.93255283 0.80037980 0.50000000 1.0 Ru Ru17 1 0.80037980 0.06744717 0.50000000 1.0 Ru Ru18 1 0.19961920 0.93255283 0.50000000 1.0 Ru Ru19 1 0.06744717 0.19961920 0.50000000 1.0