# generated using pymatgen data_Ca2Tb(NdPb2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07274244 _cell_length_b 8.52540684 _cell_length_c 16.09113632 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Tb(NdPb2)2 _chemical_formula_sum 'Ca8 Tb4 Nd8 Pb16' _cell_volume 1107.44693071 _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 Ca Ca0 1 0.33155367 0.83618190 0.37860530 1.0 Ca Ca1 1 0.83155367 0.66381810 0.12139470 1.0 Ca Ca2 1 0.66844633 0.16381810 0.87860530 1.0 Ca Ca3 1 0.16844633 0.33618190 0.62139470 1.0 Ca Ca4 1 0.83029198 0.49962385 0.74817636 1.0 Ca Ca5 1 0.33029198 0.00037615 0.75182364 1.0 Ca Ca6 1 0.16970802 0.50037615 0.24817636 1.0 Ca Ca7 1 0.66970802 0.99962385 0.25182364 1.0 Tb Tb8 1 0.66094763 0.16965073 0.62390363 1.0 Tb Tb9 1 0.16094763 0.33034927 0.87609637 1.0 Tb Tb10 1 0.33905237 0.83034927 0.12390363 1.0 Tb Tb11 1 0.83905237 0.66965073 0.37609637 1.0 Nd Nd12 1 0.50310382 0.68609435 0.59510948 1.0 Nd Nd13 1 0.00310382 0.81390565 0.90489052 1.0 Nd Nd14 1 0.49689618 0.31390565 0.09510948 1.0 Nd Nd15 1 0.99689618 0.18609435 0.40489052 1.0 Nd Nd16 1 0.49503561 0.31593128 0.40554387 1.0 Nd Nd17 1 0.99503561 0.18406872 0.09445613 1.0 Nd Nd18 1 0.50496439 0.68406872 0.90554387 1.0 Nd Nd19 1 0.00496439 0.81593128 0.59445613 1.0 Pb Pb20 1 0.68810270 0.96095568 0.46341869 1.0 Pb Pb21 1 0.18810270 0.53904432 0.03658131 1.0 Pb Pb22 1 0.31189730 0.03904432 0.96341869 1.0 Pb Pb23 1 0.81189730 0.46095568 0.53658131 1.0 Pb Pb24 1 0.32372170 0.03816974 0.54183689 1.0 Pb Pb25 1 0.82372170 0.46183026 0.95816311 1.0 Pb Pb26 1 0.67627830 0.96183026 0.04183689 1.0 Pb Pb27 1 0.17627830 0.53816974 0.45816311 1.0 Pb Pb28 1 0.46564960 0.38467344 0.75438818 1.0 Pb Pb29 1 0.96564960 0.11532656 0.74561182 1.0 Pb Pb30 1 0.53435040 0.61532656 0.25438818 1.0 Pb Pb31 1 0.03435040 0.88467344 0.24561182 1.0 Pb Pb32 1 0.70217663 0.85820743 0.74962878 1.0 Pb Pb33 1 0.20217663 0.64179257 0.75037122 1.0 Pb Pb34 1 0.29782337 0.14179257 0.24962878 1.0 Pb Pb35 1 0.79782337 0.35820743 0.25037122 1.0