# generated using pymatgen data_Hf9Re2Mo2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50799888 _cell_length_b 8.52210741 _cell_length_c 8.37236141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.94525088 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Re2Mo2N3 _chemical_formula_sum 'Hf18 Re4 Mo4 N6' _cell_volume 526.00800982 _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 0.45451750 0.90903600 0.25000000 1.0 Hf Hf1 1 0.54548250 0.09096400 0.75000000 1.0 Hf Hf2 1 0.09047815 0.54501737 0.25000000 1.0 Hf Hf3 1 0.90952185 0.45498263 0.75000000 1.0 Hf Hf4 1 0.45453822 0.54501737 0.25000000 1.0 Hf Hf5 1 0.54546178 0.45498263 0.75000000 1.0 Hf Hf6 1 0.20502878 0.41005757 0.55961015 1.0 Hf Hf7 1 0.79497122 0.58994243 0.44038985 1.0 Hf Hf8 1 0.58932258 0.79486461 0.55729598 1.0 Hf Hf9 1 0.79497122 0.58994243 0.05961015 1.0 Hf Hf10 1 0.41067742 0.20513539 0.44270402 1.0 Hf Hf11 1 0.20502878 0.41005757 0.94038985 1.0 Hf Hf12 1 0.20554204 0.79486461 0.55729598 1.0 Hf Hf13 1 0.41067742 0.20513539 0.05729598 1.0 Hf Hf14 1 0.79445796 0.20513539 0.44270402 1.0 Hf Hf15 1 0.58932258 0.79486461 0.94270402 1.0 Hf Hf16 1 0.79445796 0.20513539 0.05729598 1.0 Hf Hf17 1 0.20554204 0.79486461 0.94270402 1.0 Re Re18 1 0.77942968 0.88782048 0.25000000 1.0 Re Re19 1 0.22057032 0.11217952 0.75000000 1.0 Re Re20 1 0.10838979 0.88782048 0.25000000 1.0 Re Re21 1 0.89161021 0.11217952 0.75000000 1.0 Mo Mo22 1 0.10615613 0.21231327 0.25000000 1.0 Mo Mo23 1 0.89384387 0.78768673 0.75000000 1.0 Mo Mo24 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo25 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