# generated using pymatgen data_Hf3ScNbSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36870935 _cell_length_b 8.38686621 _cell_length_c 5.67630125 _cell_angle_alpha 90.05612930 _cell_angle_beta 89.97187053 _cell_angle_gamma 120.07179292 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3ScNbSn3 _chemical_formula_sum 'Hf6 Sc2 Nb2 Sn6' _cell_volume 344.77790153 _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 Hf Hf0 1 1.00000000 0.24981281 0.75265475 1.0 Hf Hf1 1 0.24229209 0.24332656 0.24661670 1.0 Hf Hf2 1 0.75770791 0.00103448 0.24661670 1.0 Hf Hf3 1 0.00000000 0.75320444 0.24802386 1.0 Hf Hf4 1 0.33210223 0.66445594 0.50015072 1.0 Hf Hf5 1 0.66789777 0.33235271 0.50015072 1.0 Sc Sc6 1 0.75458121 0.75613921 0.75294598 1.0 Sc Sc7 1 0.24541879 0.00155900 0.75294598 1.0 Nb Nb8 1 0.66729237 0.33233233 0.00089066 1.0 Nb Nb9 1 0.33270763 0.66504096 0.00089066 1.0 Sn Sn10 1 0.39441843 0.39308609 0.75382447 1.0 Sn Sn11 1 0.60558157 0.99866766 0.75382447 1.0 Sn Sn12 1 0.00000000 0.60935069 0.75466874 1.0 Sn Sn13 1 0.60632966 0.60585855 0.24530429 1.0 Sn Sn14 1 0.39367034 0.99952889 0.24530429 1.0 Sn Sn15 1 0.00000000 0.39424968 0.24518799 1.0