# generated using pymatgen data_Hf5Zr(NiN)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71116553 _cell_length_b 5.71116532 _cell_length_c 8.67991452 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.85098808 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Zr(NiN)2 _chemical_formula_sum 'Hf5 Zr1 Ni2 N2' _cell_volume 154.81321066 _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 0.63281015 0.36719285 0.06016307 1.0 Hf Hf1 1 0.63281015 0.36719285 0.43983693 1.0 Hf Hf2 1 0.36760520 0.63239780 0.56251161 1.0 Hf Hf3 1 0.06412894 0.93587406 0.75000000 1.0 Hf Hf4 1 0.36760520 0.63239780 0.93748739 1.0 Zr Zr5 1 0.93619888 0.06380412 0.25000000 1.0 Ni Ni6 1 0.24623678 0.75376522 0.25000000 1.0 Ni Ni7 1 0.75145849 0.24854351 0.75000000 1.0 N N8 1 0.00057711 0.99942289 0.99728330 1.0 N N9 1 0.00057711 0.99942289 0.50271670 1.0