# generated using pymatgen data_Pr16DyEr3Pb16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39382627 _cell_length_b 8.51246809 _cell_length_c 16.17259621 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00007604 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr16DyEr3Pb16 _chemical_formula_sum 'Pr16 Dy1 Er3 Pb16' _cell_volume 1155.56722818 _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 Pr Pr0 1 0.37591024 0.84454449 0.88146979 1.0 Pr Pr1 1 0.87542856 0.65575337 0.61857134 1.0 Pr Pr2 1 0.62441631 0.15551250 0.38126526 1.0 Pr Pr3 1 0.12434756 0.34439578 0.11888091 1.0 Pr Pr4 1 0.62441631 0.15551250 0.11873474 1.0 Pr Pr5 1 0.12434756 0.34439578 0.38111909 1.0 Pr Pr6 1 0.37591024 0.84454449 0.61853021 1.0 Pr Pr7 1 0.87542856 0.65575337 0.88142866 1.0 Pr Pr8 1 0.53343430 0.32287939 0.89922555 1.0 Pr Pr9 1 0.03331057 0.17668181 0.60085765 1.0 Pr Pr10 1 0.46652439 0.67693060 0.39897617 1.0 Pr Pr11 1 0.96660757 0.82297484 0.10089495 1.0 Pr Pr12 1 0.46652439 0.67693060 0.10102383 1.0 Pr Pr13 1 0.96660757 0.82297484 0.39910505 1.0 Pr Pr14 1 0.53343430 0.32287939 0.60077445 1.0 Pr Pr15 1 0.03331057 0.17668181 0.89914235 1.0 Dy Dy16 1 0.20923542 0.50269328 0.75000000 1.0 Er Er17 1 0.70954282 0.99694203 0.75000000 1.0 Er Er18 1 0.79043162 0.49711842 0.25000000 1.0 Er Er19 1 0.29049855 0.00299073 0.25000000 1.0 Pb Pb20 1 0.28041703 0.03102199 0.04766333 1.0 Pb Pb21 1 0.78045655 0.46908645 0.45236054 1.0 Pb Pb22 1 0.71968246 0.96913266 0.54747631 1.0 Pb Pb23 1 0.21943334 0.53121095 0.95295099 1.0 Pb Pb24 1 0.71968246 0.96913266 0.95252369 1.0 Pb Pb25 1 0.21943334 0.53121095 0.54704901 1.0 Pb Pb26 1 0.28041703 0.03102199 0.45233667 1.0 Pb Pb27 1 0.78045655 0.46908645 0.04763946 1.0 Pb Pb28 1 0.56980950 0.62854898 0.75000000 1.0 Pb Pb29 1 0.06924081 0.87246658 0.75000000 1.0 Pb Pb30 1 0.43090877 0.37182757 0.25000000 1.0 Pb Pb31 1 0.93067160 0.12799507 0.25000000 1.0 Pb Pb32 1 0.34477620 0.15307811 0.75000000 1.0 Pb Pb33 1 0.84423081 0.34594067 0.75000000 1.0 Pb Pb34 1 0.65534427 0.84599162 0.25000000 1.0 Pb Pb35 1 0.15537889 0.65415628 0.25000000 1.0