# generated using pymatgen data_Hf4AlN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18151830 _cell_length_b 3.18151765 _cell_length_c 24.64571186 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99997612 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4AlN3 _chemical_formula_sum 'Hf8 Al2 N6' _cell_volume 216.04333091 _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 0.33333300 0.66666700 0.44504974 1.0 Hf Hf1 1 0.66666700 0.33333300 0.55495026 1.0 Hf Hf2 1 0.66666700 0.33333300 0.94504974 1.0 Hf Hf3 1 0.33333300 0.66666700 0.05495026 1.0 Hf Hf4 1 0.00000000 0.00000000 0.34179428 1.0 Hf Hf5 1 0.00000000 0.00000000 0.65820572 1.0 Hf Hf6 1 0.00000000 0.00000000 0.84179428 1.0 Hf Hf7 1 0.00000000 0.00000000 0.15820572 1.0 Al Al8 1 0.33333300 0.66666700 0.25000000 1.0 Al Al9 1 0.66666700 0.33333300 0.75000000 1.0 N N10 1 0.00000000 0.00000000 0.50000000 1.0 N N11 1 0.00000000 0.00000000 0.00000000 1.0 N N12 1 0.66666700 0.33333300 0.39501053 1.0 N N13 1 0.33333300 0.66666700 0.60498947 1.0 N N14 1 0.33333300 0.66666700 0.89501053 1.0 N N15 1 0.66666700 0.33333300 0.10498947 1.0