# generated using pymatgen data_Hf9Ti3ReN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58528602 _cell_length_b 8.58528626 _cell_length_c 8.37069505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999908 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Ti3ReN3 _chemical_formula_sum 'Hf18 Ti6 Re2 N6' _cell_volume 534.32033739 _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 0.45434922 0.90869944 0.25000000 1.0 Hf Hf1 1 0.54565078 0.09130056 0.75000000 1.0 Hf Hf2 1 0.09130056 0.54565078 0.25000000 1.0 Hf Hf3 1 0.90869944 0.45434922 0.75000000 1.0 Hf Hf4 1 0.45434922 0.54565078 0.25000000 1.0 Hf Hf5 1 0.54565078 0.45434922 0.75000000 1.0 Hf Hf6 1 0.20913533 0.41827066 0.55997022 1.0 Hf Hf7 1 0.79086467 0.58172934 0.44002978 1.0 Hf Hf8 1 0.58172934 0.79086467 0.55997022 1.0 Hf Hf9 1 0.79086467 0.58172934 0.05997022 1.0 Hf Hf10 1 0.41827066 0.20913533 0.44002978 1.0 Hf Hf11 1 0.20913533 0.41827066 0.94002978 1.0 Hf Hf12 1 0.20913533 0.79086467 0.55997022 1.0 Hf Hf13 1 0.41827066 0.20913533 0.05997022 1.0 Hf Hf14 1 0.79086467 0.20913533 0.44002978 1.0 Hf Hf15 1 0.58172934 0.79086467 0.94002978 1.0 Hf Hf16 1 0.79086467 0.20913533 0.05997022 1.0 Hf Hf17 1 0.20913533 0.79086467 0.94002978 1.0 Ti Ti18 1 0.10812399 0.21624998 0.25000000 1.0 Ti Ti19 1 0.89187601 0.78375002 0.75000000 1.0 Ti Ti20 1 0.78375002 0.89187601 0.25000000 1.0 Ti Ti21 1 0.21624998 0.10812399 0.75000000 1.0 Ti Ti22 1 0.10812399 0.89187601 0.25000000 1.0 Ti Ti23 1 0.89187601 0.10812399 0.75000000 1.0 Re Re24 1 0.00000000 0.00000000 0.00000000 1.0 Re Re25 1 0.00000000 0.00000000 0.50000000 1.0 N N26 1 0.50000000 0.00000000 0.00000000 1.0 N N27 1 0.00000000 0.50000000 0.00000000 1.0 N N28 1 0.50000000 0.00000000 0.50000000 1.0 N N29 1 0.50000000 0.50000000 0.00000000 1.0 N N30 1 0.00000000 0.50000000 0.50000000 1.0 N N31 1 0.50000000 0.50000000 0.50000000 1.0