# generated using pymatgen data_Sc3ZnSn3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62359850 _cell_length_b 7.62359801 _cell_length_c 6.79111582 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999365 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3ZnSn3Ru2 _chemical_formula_sum 'Sc6 Zn2 Sn6 Ru4' _cell_volume 341.81553755 _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 0.37018448 0.97198852 0.25000000 1.0 Sc Sc1 1 0.60180404 0.62981552 0.25000000 1.0 Sc Sc2 1 0.02801148 0.39819596 0.25000000 1.0 Sc Sc3 1 0.36902734 0.97082338 0.75000000 1.0 Sc Sc4 1 0.60179604 0.63097266 0.75000000 1.0 Sc Sc5 1 0.02917662 0.39820396 0.75000000 1.0 Zn Zn6 1 0.66666700 0.33333300 0.99265619 1.0 Zn Zn7 1 0.66666700 0.33333300 0.50734381 1.0 Sn Sn8 1 0.72492056 0.01040926 0.00013230 1.0 Sn Sn9 1 0.28548870 0.27507944 0.49986770 1.0 Sn Sn10 1 0.98959074 0.71451130 0.49986770 1.0 Sn Sn11 1 0.98959074 0.71451130 0.00013230 1.0 Sn Sn12 1 0.28548870 0.27507944 0.00013230 1.0 Sn Sn13 1 0.72492056 0.01040926 0.49986770 1.0 Ru Ru14 1 0.33333300 0.66666700 0.00051858 1.0 Ru Ru15 1 0.33333300 0.66666700 0.49948142 1.0 Ru Ru16 1 0.00000000 0.00000000 0.25000000 1.0 Ru Ru17 1 0.00000000 0.00000000 0.75000000 1.0