# generated using pymatgen data_Pr4ErPb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39217644 _cell_length_b 8.50513395 _cell_length_c 16.17740068 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4ErPb4 _chemical_formula_sum 'Pr16 Er4 Pb16' _cell_volume 1154.68760930 _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 Pr Pr0 1 0.37614515 0.84459701 0.88136296 1.0 Pr Pr1 1 0.87614515 0.65540299 0.61863704 1.0 Pr Pr2 1 0.62385485 0.15540299 0.38136296 1.0 Pr Pr3 1 0.12385485 0.34459701 0.11863704 1.0 Pr Pr4 1 0.62385485 0.15540299 0.11863704 1.0 Pr Pr5 1 0.12385485 0.34459701 0.38136296 1.0 Pr Pr6 1 0.37614515 0.84459701 0.61863704 1.0 Pr Pr7 1 0.87614515 0.65540299 0.88136296 1.0 Pr Pr8 1 0.53399002 0.32329909 0.89898342 1.0 Pr Pr9 1 0.03399002 0.17670091 0.60101658 1.0 Pr Pr10 1 0.46600998 0.67670091 0.39898342 1.0 Pr Pr11 1 0.96600998 0.82329909 0.10101658 1.0 Pr Pr12 1 0.46600998 0.67670091 0.10101658 1.0 Pr Pr13 1 0.96600998 0.82329909 0.39898342 1.0 Pr Pr14 1 0.53399002 0.32329909 0.60101658 1.0 Pr Pr15 1 0.03399002 0.17670091 0.89898342 1.0 Er Er16 1 0.21007191 0.50285069 0.75000000 1.0 Er Er17 1 0.71007191 0.99714931 0.75000000 1.0 Er Er18 1 0.78992809 0.49714931 0.25000000 1.0 Er Er19 1 0.28992809 0.00285069 0.25000000 1.0 Pb Pb20 1 0.27988088 0.03075772 0.04774900 1.0 Pb Pb21 1 0.77988088 0.46924228 0.45225100 1.0 Pb Pb22 1 0.72011912 0.96924228 0.54774900 1.0 Pb Pb23 1 0.22011912 0.53075772 0.95225100 1.0 Pb Pb24 1 0.72011912 0.96924228 0.95225100 1.0 Pb Pb25 1 0.22011912 0.53075772 0.54774900 1.0 Pb Pb26 1 0.27988088 0.03075772 0.45225100 1.0 Pb Pb27 1 0.77988088 0.46924228 0.04774900 1.0 Pb Pb28 1 0.56979119 0.62824621 0.75000000 1.0 Pb Pb29 1 0.06979119 0.87175379 0.75000000 1.0 Pb Pb30 1 0.43020881 0.37175379 0.25000000 1.0 Pb Pb31 1 0.93020881 0.12824621 0.25000000 1.0 Pb Pb32 1 0.34542668 0.15394221 0.75000000 1.0 Pb Pb33 1 0.84542668 0.34605779 0.75000000 1.0 Pb Pb34 1 0.65457332 0.84605779 0.25000000 1.0 Pb Pb35 1 0.15457332 0.65394221 0.25000000 1.0