# generated using pymatgen data_Hf2Ni3AsP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61590368 _cell_length_b 10.12127161 _cell_length_c 12.30976969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ni3AsP2 _chemical_formula_sum 'Hf8 Ni12 As4 P8' _cell_volume 450.50732890 _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 0.32410676 0.99778605 1.0 Hf Hf1 1 0.25000000 0.17589324 0.49778605 1.0 Hf Hf2 1 0.75000000 0.67589324 0.00221395 1.0 Hf Hf3 1 0.75000000 0.82410676 0.50221395 1.0 Hf Hf4 1 0.25000000 0.42946132 0.70499106 1.0 Hf Hf5 1 0.25000000 0.07053868 0.20499106 1.0 Hf Hf6 1 0.75000000 0.57053868 0.29500894 1.0 Hf Hf7 1 0.75000000 0.92946132 0.79500894 1.0 Ni Ni8 1 0.25000000 0.90740502 0.98146836 1.0 Ni Ni9 1 0.25000000 0.59259498 0.48146836 1.0 Ni Ni10 1 0.75000000 0.09259498 0.01853164 1.0 Ni Ni11 1 0.75000000 0.40740502 0.51853164 1.0 Ni Ni12 1 0.25000000 0.14464370 0.71668266 1.0 Ni Ni13 1 0.25000000 0.35535630 0.21668266 1.0 Ni Ni14 1 0.75000000 0.85535630 0.28331734 1.0 Ni Ni15 1 0.75000000 0.64464370 0.78331734 1.0 Ni Ni16 1 0.25000000 0.78502939 0.16238760 1.0 Ni Ni17 1 0.25000000 0.71497061 0.66238760 1.0 Ni Ni18 1 0.75000000 0.21497061 0.83761240 1.0 Ni Ni19 1 0.75000000 0.28502939 0.33761240 1.0 As As20 1 0.25000000 0.55404670 0.12525280 1.0 As As21 1 0.25000000 0.94595330 0.62525280 1.0 As As22 1 0.75000000 0.44595330 0.87474720 1.0 As As23 1 0.75000000 0.05404670 0.37474720 1.0 P P24 1 0.25000000 0.10068578 0.89725199 1.0 P P25 1 0.25000000 0.39931422 0.39725199 1.0 P P26 1 0.75000000 0.89931422 0.10274801 1.0 P P27 1 0.75000000 0.60068578 0.60274801 1.0 P P28 1 0.25000000 0.74238137 0.85374645 1.0 P P29 1 0.25000000 0.75761863 0.35374645 1.0 P P30 1 0.75000000 0.25761863 0.14625355 1.0 P P31 1 0.75000000 0.24238137 0.64625355 1.0