# generated using pymatgen data_Nb20Al9Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94115564 _cell_length_b 9.94115564 _cell_length_c 5.19676245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.64581113 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb20Al9Cu _chemical_formula_sum 'Nb20 Al9 Cu1' _cell_volume 513.56842347 _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 Nb Nb0 1 0.39616084 0.39616084 0.00000000 1.0 Nb Nb1 1 0.89938785 0.10061215 0.50000000 1.0 Nb Nb2 1 0.10061215 0.89938785 0.50000000 1.0 Nb Nb3 1 0.60383916 0.60383916 0.00000000 1.0 Nb Nb4 1 0.12752675 0.46519117 0.00000000 1.0 Nb Nb5 1 0.96528601 0.36998230 0.50000000 1.0 Nb Nb6 1 0.03471399 0.63001770 0.50000000 1.0 Nb Nb7 1 0.87247325 0.53480883 0.00000000 1.0 Nb Nb8 1 0.36998230 0.96528601 0.50000000 1.0 Nb Nb9 1 0.63001770 0.03471399 0.50000000 1.0 Nb Nb10 1 0.46519117 0.12752675 0.00000000 1.0 Nb Nb11 1 0.53480883 0.87247325 0.00000000 1.0 Nb Nb12 1 0.18157263 0.18157263 0.25258885 1.0 Nb Nb13 1 0.68279650 0.31720350 0.75253193 1.0 Nb Nb14 1 0.31720350 0.68279650 0.75253193 1.0 Nb Nb15 1 0.81842737 0.81842737 0.25258885 1.0 Nb Nb16 1 0.31720350 0.68279650 0.24746807 1.0 Nb Nb17 1 0.68279650 0.31720350 0.24746807 1.0 Nb Nb18 1 0.18157263 0.18157263 0.74741115 1.0 Nb Nb19 1 0.81842737 0.81842737 0.74741115 1.0 Al Al20 1 0.50000000 0.50000000 0.50000000 1.0 Al Al21 1 0.25470959 0.93515406 0.00000000 1.0 Al Al22 1 0.43357057 0.23874990 0.50000000 1.0 Al Al23 1 0.56642943 0.76125010 0.50000000 1.0 Al Al24 1 0.74529041 0.06484594 0.00000000 1.0 Al Al25 1 0.23874990 0.43357057 0.50000000 1.0 Al Al26 1 0.76125010 0.56642943 0.50000000 1.0 Al Al27 1 0.93515406 0.25470959 0.00000000 1.0 Al Al28 1 0.06484594 0.74529041 0.00000000 1.0 Cu Cu29 1 0.00000000 0.00000000 0.00000000 1.0