# generated using pymatgen data_HfScSi7Ni12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.08953349 _cell_length_b 9.08953382 _cell_length_c 3.52961293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000240 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScSi7Ni12 _chemical_formula_sum 'Hf1 Sc1 Si7 Ni12' _cell_volume 252.54624043 _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 0.33333300 0.66666700 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.50000000 1.0 Si Si2 1 0.00000000 0.00000000 0.00000000 1.0 Si Si3 1 0.40414013 0.28120930 0.00000000 1.0 Si Si4 1 0.58901951 0.70541764 0.50000000 1.0 Si Si5 1 0.29458236 0.88360087 0.50000000 1.0 Si Si6 1 0.11639913 0.41098049 0.50000000 1.0 Si Si7 1 0.71879070 0.12292984 0.00000000 1.0 Si Si8 1 0.87707016 0.59585987 0.00000000 1.0 Ni Ni9 1 0.37963749 0.43168653 0.50000000 1.0 Ni Ni10 1 0.05204904 0.62036251 0.50000000 1.0 Ni Ni11 1 0.21620053 0.09191895 0.50000000 1.0 Ni Ni12 1 0.87571842 0.78379947 0.50000000 1.0 Ni Ni13 1 0.90808105 0.12428158 0.50000000 1.0 Ni Ni14 1 0.72032088 0.87650895 0.00000000 1.0 Ni Ni15 1 0.12349105 0.84381093 0.00000000 1.0 Ni Ni16 1 0.15618907 0.27967912 0.00000000 1.0 Ni Ni17 1 0.94414487 0.38506610 0.00000000 1.0 Ni Ni18 1 0.61493390 0.55907976 0.00000000 1.0 Ni Ni19 1 0.44092024 0.05585513 0.00000000 1.0 Ni Ni20 1 0.56831347 0.94795096 0.50000000 1.0