# generated using pymatgen data_Zr3AlAu2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70771182 _cell_length_b 8.70771180 _cell_length_c 8.70771241 _cell_angle_alpha 60.00000137 _cell_angle_beta 60.00000143 _cell_angle_gamma 59.99999876 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3AlAu2N _chemical_formula_sum 'Zr12 Al4 Au8 N4' _cell_volume 466.87130170 _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 0.81256945 0.81256945 0.18743055 1.0 Zr Zr1 1 0.18743055 0.18743055 0.81256945 1.0 Zr Zr2 1 0.81256945 0.18743055 0.81256945 1.0 Zr Zr3 1 0.18743055 0.81256945 0.18743055 1.0 Zr Zr4 1 0.18743055 0.81256945 0.81256945 1.0 Zr Zr5 1 0.81256945 0.18743055 0.18743055 1.0 Zr Zr6 1 0.43743055 0.43743055 0.06256945 1.0 Zr Zr7 1 0.06256945 0.06256945 0.43743055 1.0 Zr Zr8 1 0.43743055 0.06256945 0.43743055 1.0 Zr Zr9 1 0.06256945 0.43743055 0.06256945 1.0 Zr Zr10 1 0.06256945 0.43743055 0.43743055 1.0 Zr Zr11 1 0.43743055 0.06256945 0.06256945 1.0 Al Al12 1 0.12500000 0.62500000 0.62500000 1.0 Al Al13 1 0.62500000 0.12500000 0.62500000 1.0 Al Al14 1 0.62500000 0.62500000 0.12500000 1.0 Al Al15 1 0.62500000 0.62500000 0.62500000 1.0 Au Au16 1 0.76147140 0.41284287 0.41284287 1.0 Au Au17 1 0.41284287 0.76147140 0.41284287 1.0 Au Au18 1 0.41284287 0.41284287 0.76147140 1.0 Au Au19 1 0.41284287 0.41284287 0.41284287 1.0 Au Au20 1 0.48852860 0.83715713 0.83715713 1.0 Au Au21 1 0.83715713 0.48852860 0.83715713 1.0 Au Au22 1 0.83715713 0.83715713 0.48852860 1.0 Au Au23 1 0.83715713 0.83715713 0.83715713 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