# generated using pymatgen data_Hf9Re4N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43839554 _cell_length_b 8.43839551 _cell_length_c 8.46529784 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000010 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Re4N3 _chemical_formula_sum 'Hf18 Re8 N6' _cell_volume 522.02659572 _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 0.45441071 0.90882243 0.25000000 1.0 Hf Hf1 1 0.54558929 0.09117757 0.75000000 1.0 Hf Hf2 1 0.09117757 0.54558929 0.25000000 1.0 Hf Hf3 1 0.90882243 0.45441071 0.75000000 1.0 Hf Hf4 1 0.45441071 0.54558929 0.25000000 1.0 Hf Hf5 1 0.54558929 0.45441071 0.75000000 1.0 Hf Hf6 1 0.20363130 0.40726260 0.55621959 1.0 Hf Hf7 1 0.79636870 0.59273740 0.44378041 1.0 Hf Hf8 1 0.59273740 0.79636870 0.55621959 1.0 Hf Hf9 1 0.79636870 0.59273740 0.05621959 1.0 Hf Hf10 1 0.40726260 0.20363130 0.44378041 1.0 Hf Hf11 1 0.20363130 0.40726260 0.94378041 1.0 Hf Hf12 1 0.20363130 0.79636870 0.55621959 1.0 Hf Hf13 1 0.40726260 0.20363130 0.05621959 1.0 Hf Hf14 1 0.79636870 0.20363130 0.44378041 1.0 Hf Hf15 1 0.59273740 0.79636870 0.94378041 1.0 Hf Hf16 1 0.79636870 0.20363130 0.05621959 1.0 Hf Hf17 1 0.20363130 0.79636870 0.94378041 1.0 Re Re18 1 0.10818878 0.21637857 0.25000000 1.0 Re Re19 1 0.89181122 0.78362143 0.75000000 1.0 Re Re20 1 0.78362143 0.89181122 0.25000000 1.0 Re Re21 1 0.21637857 0.10818878 0.75000000 1.0 Re Re22 1 0.10818878 0.89181122 0.25000000 1.0 Re Re23 1 0.89181122 0.10818878 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