# generated using pymatgen data_Zr3AlCu2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46791297 _cell_length_b 8.46791260 _cell_length_c 8.46791425 _cell_angle_alpha 60.00000125 _cell_angle_beta 60.00000270 _cell_angle_gamma 60.00000704 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3AlCu2N _chemical_formula_sum 'Zr12 Al4 Cu8 N4' _cell_volume 429.35274382 _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 Zr Zr0 1 0.81070537 0.18929463 0.18929463 1.0 Zr Zr1 1 0.18929463 0.81070537 0.18929463 1.0 Zr Zr2 1 0.81070537 0.81070537 0.18929463 1.0 Zr Zr3 1 0.18929463 0.81070537 0.81070537 1.0 Zr Zr4 1 0.81070537 0.18929463 0.81070537 1.0 Zr Zr5 1 0.18929463 0.18929463 0.81070537 1.0 Zr Zr6 1 0.43929463 0.06070537 0.06070537 1.0 Zr Zr7 1 0.06070537 0.43929463 0.06070537 1.0 Zr Zr8 1 0.43929463 0.43929463 0.06070537 1.0 Zr Zr9 1 0.06070537 0.43929463 0.43929463 1.0 Zr Zr10 1 0.43929463 0.06070537 0.43929463 1.0 Zr Zr11 1 0.06070537 0.06070537 0.43929463 1.0 Al Al12 1 0.62500000 0.62500000 0.12500000 1.0 Al Al13 1 0.62500000 0.62500000 0.62500000 1.0 Al Al14 1 0.12500000 0.62500000 0.62500000 1.0 Al Al15 1 0.62500000 0.12500000 0.62500000 1.0 Cu Cu16 1 0.41993686 0.41993686 0.74019042 1.0 Cu Cu17 1 0.41993686 0.41993686 0.41993686 1.0 Cu Cu18 1 0.74019042 0.41993686 0.41993686 1.0 Cu Cu19 1 0.41993686 0.74019042 0.41993686 1.0 Cu Cu20 1 0.83006314 0.83006314 0.50980958 1.0 Cu Cu21 1 0.83006314 0.83006314 0.83006314 1.0 Cu Cu22 1 0.50980958 0.83006314 0.83006314 1.0 Cu Cu23 1 0.83006314 0.50980958 0.83006314 1.0 N N24 1 0.12500000 0.12500000 0.62500000 1.0 N N25 1 0.12500000 0.12500000 0.12500000 1.0 N N26 1 0.62500000 0.12500000 0.12500000 1.0 N N27 1 0.12500000 0.62500000 0.12500000 1.0