# generated using pymatgen data_Nb3AlZnN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03617528 _cell_length_b 7.03617528 _cell_length_c 7.03617528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3AlZnN _chemical_formula_sum 'Nb12 Al4 Zn4 N4' _cell_volume 348.34529571 _cell_formula_units_Z 4 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 Nb Nb0 1 0.79306853 0.95603770 0.37381854 1.0 Nb Nb1 1 0.70693147 0.04396230 0.87381854 1.0 Nb Nb2 1 0.20693147 0.45603770 0.12618146 1.0 Nb Nb3 1 0.29306853 0.54396230 0.62618146 1.0 Nb Nb4 1 0.95603770 0.37381854 0.79306853 1.0 Nb Nb5 1 0.04396230 0.87381854 0.70693147 1.0 Nb Nb6 1 0.45603770 0.12618146 0.20693147 1.0 Nb Nb7 1 0.54396230 0.62618146 0.29306853 1.0 Nb Nb8 1 0.37381854 0.79306853 0.95603770 1.0 Nb Nb9 1 0.87381854 0.70693147 0.04396230 1.0 Nb Nb10 1 0.12618146 0.20693147 0.45603770 1.0 Nb Nb11 1 0.62618146 0.29306853 0.54396230 1.0 Al Al12 1 0.57344927 0.42655073 0.92655073 1.0 Al Al13 1 0.42655073 0.92655073 0.57344927 1.0 Al Al14 1 0.92655073 0.57344927 0.42655073 1.0 Al Al15 1 0.07344927 0.07344927 0.07344927 1.0 Zn Zn16 1 0.17913209 0.82086791 0.32086791 1.0 Zn Zn17 1 0.32086791 0.17913209 0.82086791 1.0 Zn Zn18 1 0.82086791 0.32086791 0.17913209 1.0 Zn Zn19 1 0.67913209 0.67913209 0.67913209 1.0 N N20 1 0.87669313 0.12330687 0.62330687 1.0 N N21 1 0.62330687 0.87669313 0.12330687 1.0 N N22 1 0.12330687 0.62330687 0.87669313 1.0 N N23 1 0.37669313 0.37669313 0.37669313 1.0