# generated using pymatgen data_Nb3Al2CuN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23812179 _cell_length_b 8.23812165 _cell_length_c 8.23812264 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000057 _cell_angle_gamma 59.99999752 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Al2CuN _chemical_formula_sum 'Nb12 Al8 Cu4 N4' _cell_volume 395.33899865 _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 0.81330106 0.81330106 0.18669894 1.0 Nb Nb1 1 0.18669894 0.18669894 0.81330106 1.0 Nb Nb2 1 0.81330106 0.18669894 0.81330106 1.0 Nb Nb3 1 0.18669894 0.81330106 0.18669894 1.0 Nb Nb4 1 0.18669894 0.81330106 0.81330106 1.0 Nb Nb5 1 0.81330106 0.18669894 0.18669894 1.0 Nb Nb6 1 0.43669894 0.43669894 0.06330106 1.0 Nb Nb7 1 0.06330106 0.06330106 0.43669894 1.0 Nb Nb8 1 0.43669894 0.06330106 0.43669894 1.0 Nb Nb9 1 0.06330106 0.43669894 0.06330106 1.0 Nb Nb10 1 0.06330106 0.43669894 0.43669894 1.0 Nb Nb11 1 0.43669894 0.06330106 0.06330106 1.0 Al Al12 1 0.75027518 0.41657527 0.41657527 1.0 Al Al13 1 0.41657527 0.75027518 0.41657527 1.0 Al Al14 1 0.41657527 0.41657527 0.75027518 1.0 Al Al15 1 0.41657527 0.41657527 0.41657527 1.0 Al Al16 1 0.49972482 0.83342473 0.83342473 1.0 Al Al17 1 0.83342473 0.49972482 0.83342473 1.0 Al Al18 1 0.83342473 0.83342473 0.49972482 1.0 Al Al19 1 0.83342473 0.83342473 0.83342473 1.0 Cu Cu20 1 0.12500000 0.62500000 0.62500000 1.0 Cu Cu21 1 0.62500000 0.12500000 0.62500000 1.0 Cu Cu22 1 0.62500000 0.62500000 0.12500000 1.0 Cu Cu23 1 0.62500000 0.62500000 0.62500000 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0