# generated using pymatgen data_Hf3Nb7N12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29802750 _cell_length_b 5.29802611 _cell_length_c 10.51683058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000870 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Nb7N12 _chemical_formula_sum 'Hf3 Nb7 N12' _cell_volume 255.64880904 _cell_formula_units_Z 1 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 0.50000000 1.0 Hf Hf1 1 0.66666700 0.33333300 0.00000000 1.0 Hf Hf2 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb3 1 0.33333300 0.66666700 0.00000000 1.0 Nb Nb4 1 0.67964321 0.00106235 0.75167867 1.0 Nb Nb5 1 0.67964321 0.67857985 0.24832133 1.0 Nb Nb6 1 0.99893765 0.32035679 0.24832133 1.0 Nb Nb7 1 0.99893765 0.67857985 0.75167867 1.0 Nb Nb8 1 0.32142015 0.32035679 0.75167867 1.0 Nb Nb9 1 0.32142015 0.00106235 0.24832133 1.0 N N10 1 0.34770862 0.34772927 0.37456613 1.0 N N11 1 0.65227073 0.99997935 0.37456613 1.0 N N12 1 0.00002065 0.65229138 0.37456613 1.0 N N13 1 0.00286201 0.34645167 0.87820834 1.0 N N14 1 0.65354833 0.99713799 0.12179166 1.0 N N15 1 0.65354833 0.65640934 0.87820834 1.0 N N16 1 0.34359066 0.99713799 0.87820834 1.0 N N17 1 0.65227073 0.65229138 0.62543387 1.0 N N18 1 0.00002065 0.34772927 0.62543387 1.0 N N19 1 0.00286201 0.65640934 0.12179166 1.0 N N20 1 0.34770862 0.99997935 0.62543387 1.0 N N21 1 0.34359066 0.34645167 0.12179166 1.0