# generated using pymatgen data_HfSc2Nb2Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.35312210 _cell_length_b 8.35312217 _cell_length_c 5.65066306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.03109096 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc2Nb2Sn3 _chemical_formula_sum 'Hf2 Sc4 Nb4 Sn6' _cell_volume 341.34343918 _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 0.75187711 0.99746828 0.00000000 1.0 Hf Hf1 1 0.99746828 0.75187711 0.00000000 1.0 Sc Sc2 1 0.75567033 0.75567033 0.50000000 1.0 Sc Sc3 1 0.24575135 0.99951475 0.50000000 1.0 Sc Sc4 1 0.99951475 0.24575135 0.50000000 1.0 Sc Sc5 1 0.24160738 0.24160738 0.00000000 1.0 Nb Nb6 1 0.66955820 0.33456998 0.24936837 1.0 Nb Nb7 1 0.33456998 0.66955820 0.24936837 1.0 Nb Nb8 1 0.33456998 0.66955820 0.75063163 1.0 Nb Nb9 1 0.66955820 0.33456998 0.75063163 1.0 Sn Sn10 1 0.39474756 0.39474756 0.50000000 1.0 Sn Sn11 1 0.60649399 0.00082947 0.50000000 1.0 Sn Sn12 1 0.00082947 0.60649399 0.50000000 1.0 Sn Sn13 1 0.60285922 0.60285922 0.00000000 1.0 Sn Sn14 1 0.39355622 0.00136099 0.00000000 1.0 Sn Sn15 1 0.00136099 0.39355622 0.00000000 1.0