# generated using pymatgen data_Tb4Lu16(HgBi3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04685456 _cell_length_b 9.23624866 _cell_length_c 11.88592314 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.18668834 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4Lu16(HgBi3)3 _chemical_formula_sum 'Tb4 Lu16 Hg3 Bi9' _cell_volume 883.38980033 _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 Tb Tb0 1 0.31820193 0.25000000 0.21008022 1.0 Tb Tb1 1 0.80561134 0.25000000 0.28090159 1.0 Tb Tb2 1 0.68318654 0.75000000 0.78705206 1.0 Tb Tb3 1 0.18420728 0.75000000 0.71279533 1.0 Lu Lu4 1 0.34463236 0.75000000 0.20540266 1.0 Lu Lu5 1 0.85006105 0.75000000 0.29215791 1.0 Lu Lu6 1 0.65252365 0.25000000 0.79186535 1.0 Lu Lu7 1 0.15810771 0.25000000 0.71692967 1.0 Lu Lu8 1 0.68581650 0.56058738 0.05896787 1.0 Lu Lu9 1 0.18823672 0.92847092 0.43904970 1.0 Lu Lu10 1 0.31468925 0.06145910 0.94351197 1.0 Lu Lu11 1 0.80898801 0.44615786 0.56422992 1.0 Lu Lu12 1 0.31468925 0.43854090 0.94351197 1.0 Lu Lu13 1 0.80898801 0.05384214 0.56422992 1.0 Lu Lu14 1 0.68581650 0.93941262 0.05896787 1.0 Lu Lu15 1 0.18823672 0.57152908 0.43904970 1.0 Lu Lu16 1 0.48058785 0.25000000 0.49066532 1.0 Lu Lu17 1 0.96528915 0.25000000 0.00857620 1.0 Lu Lu18 1 0.53602564 0.75000000 0.50853787 1.0 Lu Lu19 1 0.03495590 0.75000000 0.99093331 1.0 Hg Hg20 1 0.40530757 0.75000000 0.96546380 1.0 Hg Hg21 1 0.90594333 0.75000000 0.53473732 1.0 Hg Hg22 1 0.59611810 0.25000000 0.03367672 1.0 Bi Bi23 1 0.09434967 0.25000000 0.46145947 1.0 Bi Bi24 1 0.55325515 0.99563415 0.32462430 1.0 Bi Bi25 1 0.05352603 0.50279250 0.17589037 1.0 Bi Bi26 1 0.44246168 0.49577066 0.67416162 1.0 Bi Bi27 1 0.94547363 0.00337380 0.82394634 1.0 Bi Bi28 1 0.44246168 0.00422934 0.67416162 1.0 Bi Bi29 1 0.94547363 0.49662620 0.82394634 1.0 Bi Bi30 1 0.55325515 0.50436585 0.32462430 1.0 Bi Bi31 1 0.05352603 0.99720750 0.17589037 1.0