# generated using pymatgen data_Y3Sc2Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78856075 _cell_length_b 8.78856036 _cell_length_c 6.30387095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999403 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Sc2Sn3 _chemical_formula_sum 'Y6 Sc4 Sn6' _cell_volume 421.67074441 _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 Y Y0 1 0.75875118 0.75875118 0.25000000 1.0 Y Y1 1 1.00000000 0.24124882 0.25000000 1.0 Y Y2 1 0.75875118 0.00000000 0.75000000 1.0 Y Y3 1 0.24124882 1.00000000 0.25000000 1.0 Y Y4 1 0.00000000 0.75875118 0.75000000 1.0 Y Y5 1 0.24124882 0.24124882 0.75000000 1.0 Sc Sc6 1 0.33333300 0.66666700 0.50000000 1.0 Sc Sc7 1 0.66666700 0.33333300 0.50000000 1.0 Sc Sc8 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc9 1 0.66666700 0.33333300 0.00000000 1.0 Sn Sn10 1 0.60076163 0.60076163 0.75000000 1.0 Sn Sn11 1 0.39923837 0.00000000 0.75000000 1.0 Sn Sn12 1 0.60076163 1.00000000 0.25000000 1.0 Sn Sn13 1 0.00000000 0.39923837 0.75000000 1.0 Sn Sn14 1 0.39923837 0.39923837 0.25000000 1.0 Sn Sn15 1 1.00000000 0.60076163 0.25000000 1.0