# generated using pymatgen data_Hf5Sc(Co2Sn)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39391155 _cell_length_b 6.20576590 _cell_length_c 13.17995309 _cell_angle_alpha 89.99977831 _cell_angle_beta 89.99975139 _cell_angle_gamma 89.99960035 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Sc(Co2Sn)6 _chemical_formula_sum 'Hf5 Sc1 Co12 Sn6' _cell_volume 359.38551037 _cell_formula_units_Z 1 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 0.99999712 0.49998553 0.99982584 1.0 Hf Hf1 1 0.50016412 0.00000773 0.16601074 1.0 Hf Hf2 1 0.00017080 0.49999972 0.33329923 1.0 Hf Hf3 1 0.49999388 0.99999908 0.50065339 1.0 Hf Hf4 1 0.99981811 0.49999856 0.66688740 1.0 Sc Sc5 1 0.49980796 0.00001264 0.83332251 1.0 Co Co6 1 0.50001454 0.25208478 0.00194189 1.0 Co Co7 1 0.49999307 0.74791829 0.00193971 1.0 Co Co8 1 0.00020546 0.24927981 0.16665842 1.0 Co Co9 1 0.00024278 0.75071735 0.16666059 1.0 Co Co10 1 0.50026522 0.24999221 0.33332480 1.0 Co Co11 1 0.50022949 0.75000521 0.33332617 1.0 Co Co12 1 0.99997552 0.24935278 0.50000817 1.0 Co Co13 1 0.00001262 0.75065325 0.50000876 1.0 Co Co14 1 0.49980023 0.25214439 0.66474394 1.0 Co Co15 1 0.49977142 0.74785169 0.66474760 1.0 Co Co16 1 0.99976139 0.25670526 0.83332631 1.0 Co Co17 1 0.99979345 0.74329241 0.83332062 1.0 Sn Sn18 1 0.99999494 0.99999971 0.99763538 1.0 Sn Sn19 1 0.50019136 0.50000071 0.16684397 1.0 Sn Sn20 1 0.00019998 0.99999618 0.33334019 1.0 Sn Sn21 1 0.49999871 0.50001494 0.49980535 1.0 Sn Sn22 1 0.99979160 0.99999197 0.66900193 1.0 Sn Sn23 1 0.49980023 0.49999978 0.83336807 1.0