# generated using pymatgen data_Hf9Re3WN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49636817 _cell_length_b 8.49636742 _cell_length_c 8.39672192 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999906 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Re3WN3 _chemical_formula_sum 'Hf18 Re6 W2 N6' _cell_volume 524.93679461 _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 0.45475136 0.90950372 0.25000000 1.0 Hf Hf1 1 0.54524864 0.09049628 0.75000000 1.0 Hf Hf2 1 0.09049628 0.54524864 0.25000000 1.0 Hf Hf3 1 0.90950372 0.45475136 0.75000000 1.0 Hf Hf4 1 0.45475136 0.54524864 0.25000000 1.0 Hf Hf5 1 0.54524864 0.45475136 0.75000000 1.0 Hf Hf6 1 0.20428380 0.40856660 0.55673273 1.0 Hf Hf7 1 0.79571620 0.59143340 0.44326727 1.0 Hf Hf8 1 0.59143340 0.79571620 0.55673273 1.0 Hf Hf9 1 0.79571620 0.59143340 0.05673273 1.0 Hf Hf10 1 0.40856660 0.20428380 0.44326727 1.0 Hf Hf11 1 0.20428380 0.40856660 0.94326727 1.0 Hf Hf12 1 0.20428380 0.79571620 0.55673273 1.0 Hf Hf13 1 0.40856660 0.20428380 0.05673273 1.0 Hf Hf14 1 0.79571620 0.20428380 0.44326727 1.0 Hf Hf15 1 0.59143340 0.79571620 0.94326727 1.0 Hf Hf16 1 0.79571620 0.20428380 0.05673273 1.0 Hf Hf17 1 0.20428380 0.79571620 0.94326727 1.0 Re Re18 1 0.10963159 0.21926418 0.25000000 1.0 Re Re19 1 0.89036841 0.78073582 0.75000000 1.0 Re Re20 1 0.78073582 0.89036841 0.25000000 1.0 Re Re21 1 0.21926418 0.10963159 0.75000000 1.0 Re Re22 1 0.10963159 0.89036841 0.25000000 1.0 Re Re23 1 0.89036841 0.10963159 0.75000000 1.0 W W24 1 0.00000000 0.00000000 0.00000000 1.0 W W25 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