# generated using pymatgen data_Hf2Ni3As2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67427988 _cell_length_b 10.18972760 _cell_length_c 12.44056829 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ni3As2P _chemical_formula_sum 'Hf8 Ni12 As8 P4' _cell_volume 465.77377053 _cell_formula_units_Z 4 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 0.25000000 0.32771945 0.99459665 1.0 Hf Hf1 1 0.25000000 0.17228055 0.49459665 1.0 Hf Hf2 1 0.75000000 0.67228055 0.00540335 1.0 Hf Hf3 1 0.75000000 0.82771945 0.50540335 1.0 Hf Hf4 1 0.25000000 0.43706341 0.70459870 1.0 Hf Hf5 1 0.25000000 0.06293659 0.20459870 1.0 Hf Hf6 1 0.75000000 0.56293659 0.29540130 1.0 Hf Hf7 1 0.75000000 0.93706341 0.79540130 1.0 Ni Ni8 1 0.25000000 0.91307874 0.98621872 1.0 Ni Ni9 1 0.25000000 0.58692126 0.48621872 1.0 Ni Ni10 1 0.75000000 0.08692126 0.01378128 1.0 Ni Ni11 1 0.75000000 0.41307874 0.51378128 1.0 Ni Ni12 1 0.25000000 0.13872278 0.72241075 1.0 Ni Ni13 1 0.25000000 0.36127722 0.22241075 1.0 Ni Ni14 1 0.75000000 0.86127722 0.27758925 1.0 Ni Ni15 1 0.75000000 0.63872278 0.77758925 1.0 Ni Ni16 1 0.25000000 0.78455375 0.15806430 1.0 Ni Ni17 1 0.25000000 0.71544625 0.65806430 1.0 Ni Ni18 1 0.75000000 0.21544625 0.84193570 1.0 Ni Ni19 1 0.75000000 0.28455375 0.34193570 1.0 As As20 1 0.25000000 0.74341151 0.85438842 1.0 As As21 1 0.25000000 0.75658849 0.35438842 1.0 As As22 1 0.75000000 0.25658849 0.14561158 1.0 As As23 1 0.75000000 0.24341151 0.64561158 1.0 As As24 1 0.25000000 0.55360492 0.12636735 1.0 As As25 1 0.25000000 0.94639508 0.62636735 1.0 As As26 1 0.75000000 0.44639508 0.87363265 1.0 As As27 1 0.75000000 0.05360492 0.37363265 1.0 P P28 1 0.25000000 0.10278529 0.89962346 1.0 P P29 1 0.25000000 0.39721471 0.39962346 1.0 P P30 1 0.75000000 0.89721471 0.10037654 1.0 P P31 1 0.75000000 0.60278529 0.60037654 1.0