# generated using pymatgen data_Hf6Si7Ni16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99717367 _cell_length_b 7.99717955 _cell_length_c 7.99717415 _cell_angle_alpha 60.00110900 _cell_angle_beta 60.00108420 _cell_angle_gamma 60.00109859 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Si7Ni16 _chemical_formula_sum 'Hf6 Si7 Ni16' _cell_volume 361.66437673 _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 0.79415832 0.20584397 0.79415730 1.0 Hf Hf1 1 0.79416071 0.79415569 0.20584158 1.0 Hf Hf2 1 0.20584123 0.79415647 0.79416011 1.0 Hf Hf3 1 0.20583923 0.20584435 0.79415809 1.0 Hf Hf4 1 0.79415894 0.20584391 0.20583972 1.0 Hf Hf5 1 0.20584129 0.79415598 0.20584271 1.0 Si Si6 1 0.00000079 0.49999921 0.00000082 1.0 Si Si7 1 0.49999990 0.50000007 0.49999999 1.0 Si Si8 1 0.49999918 0.49999922 0.00000079 1.0 Si Si9 1 0.49999909 0.00000083 0.50000003 1.0 Si Si10 1 -0.00000005 0.49999921 0.49999999 1.0 Si Si11 1 -0.00000002 0.00000080 0.49999928 1.0 Si Si12 1 0.49999920 0.00000084 0.00000081 1.0 Ni Ni13 1 0.16831727 0.16832608 0.16831930 1.0 Ni Ni14 1 0.61822901 0.61822014 0.14532317 1.0 Ni Ni15 1 0.38177084 0.38177839 0.38177220 1.0 Ni Ni16 1 0.16831989 0.49503899 0.16832152 1.0 Ni Ni17 1 0.16831873 0.16832693 0.49503610 1.0 Ni Ni18 1 0.14532271 0.61822080 0.61822733 1.0 Ni Ni19 1 0.61822562 0.14532668 0.61822330 1.0 Ni Ni20 1 0.83168206 0.83167304 0.83168092 1.0 Ni Ni21 1 0.85467669 0.38177878 0.38177248 1.0 Ni Ni22 1 0.38177148 0.38177957 0.85467620 1.0 Ni Ni23 1 0.38177502 0.85467361 0.38177554 1.0 Ni Ni24 1 0.50496613 0.83167273 0.83168046 1.0 Ni Ni25 1 0.61822961 0.61822124 0.61822741 1.0 Ni Ni26 1 0.83168060 0.83167281 0.50496446 1.0 Ni Ni27 1 0.49503632 0.16832611 0.16831984 1.0 Ni Ni28 1 0.83167920 0.50496251 0.83167857 1.0