# generated using pymatgen data_Hf8Ni4N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53960630 _cell_length_b 8.53960630 _cell_length_c 8.53960630 _cell_angle_alpha 120.08230877 _cell_angle_beta 119.84366078 _cell_angle_gamma 90.06424833 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Ni4N _chemical_formula_sum 'Hf16 Ni8 N2' _cell_volume 440.59423950 _cell_formula_units_Z 2 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 0.94060600 0.19060600 0.75000000 1.0 Hf Hf1 1 0.31188700 0.56188700 0.75000000 1.0 Hf Hf2 1 0.93851700 0.56197300 0.75383200 1.0 Hf Hf3 1 0.30814100 0.18468500 0.74616800 1.0 Hf Hf4 1 0.93851700 0.18468500 0.37654400 1.0 Hf Hf5 1 0.30814100 0.56197300 0.12345600 1.0 Hf Hf6 1 0.05939400 0.80939400 0.25000000 1.0 Hf Hf7 1 0.68811300 0.43811300 0.25000000 1.0 Hf Hf8 1 0.06148300 0.43802700 0.24616800 1.0 Hf Hf9 1 0.69185900 0.81531500 0.25383200 1.0 Hf Hf10 1 0.06148300 0.81531500 0.62345600 1.0 Hf Hf11 1 0.69185900 0.43802700 0.87654400 1.0 Hf Hf12 1 0.50000000 0.00000000 0.00000000 1.0 Hf Hf13 1 0.50000000 0.50000000 0.50000000 1.0 Hf Hf14 1 0.50000000 0.00000000 0.50000000 1.0 Hf Hf15 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni16 1 0.71943600 0.77541900 0.55598300 1.0 Ni Ni17 1 0.71943600 0.16345300 0.94401700 1.0 Ni Ni18 1 0.71395700 0.77950900 0.93444800 1.0 Ni Ni19 1 0.34506200 0.77950900 0.56555200 1.0 Ni Ni20 1 0.28056400 0.22458100 0.44401700 1.0 Ni Ni21 1 0.28056400 0.83654700 0.05598300 1.0 Ni Ni22 1 0.28604300 0.22049100 0.06555200 1.0 Ni Ni23 1 0.65493800 0.22049100 0.43444800 1.0 N N24 1 0.00000000 0.50000000 0.00000000 1.0 N N25 1 0.00000000 0.00000000 0.50000000 1.0