# generated using pymatgen data_HfNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03895901 _cell_length_b 7.03895904 _cell_length_c 7.03895916 _cell_angle_alpha 43.52198730 _cell_angle_beta 43.52198113 _cell_angle_gamma 43.52198687 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNi3 _chemical_formula_sum 'Hf3 Ni9' _cell_volume 150.06746235 _cell_formula_units_Z 3 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 0.78119232 0.78119232 0.78119232 1.0 Hf Hf1 1 0.21880768 0.21880768 0.21880768 1.0 Hf Hf2 1 0.00000000 -0.00000000 0.00000000 1.0 Ni Ni3 1 0.71252959 0.24472062 0.71252959 1.0 Ni Ni4 1 0.24472062 0.71252959 0.71252959 1.0 Ni Ni5 1 0.71252959 0.71252959 0.24472062 1.0 Ni Ni6 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni7 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni8 1 0.50000000 -0.00000000 0.50000000 1.0 Ni Ni9 1 0.28747041 0.28747041 0.75527938 1.0 Ni Ni10 1 0.75527938 0.28747041 0.28747041 1.0 Ni Ni11 1 0.28747041 0.75527938 0.28747041 1.0