# generated using pymatgen data_Th4Cu20Sn3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05964054 _cell_length_b 8.27645860 _cell_length_c 10.55452386 _cell_angle_alpha 89.82122649 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4Cu20Sn3Hg _chemical_formula_sum 'Th4 Cu20 Sn3 Hg1' _cell_volume 441.97809206 _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 Th Th0 1 0.75000000 0.25338418 0.93316879 1.0 Th Th1 1 0.25000000 0.75224574 0.05833001 1.0 Th Th2 1 0.75000000 0.74320664 0.56117484 1.0 Th Th3 1 0.25000000 0.25176996 0.45011191 1.0 Cu Cu4 1 0.00021212 0.42859958 0.18594368 1.0 Cu Cu5 1 0.50031253 0.57035246 0.81298243 1.0 Cu Cu6 1 0.49968216 0.92869890 0.31374736 1.0 Cu Cu7 1 0.99952725 0.06915710 0.68786611 1.0 Cu Cu8 1 0.99968747 0.57035246 0.81298243 1.0 Cu Cu9 1 0.49978788 0.42859958 0.18594368 1.0 Cu Cu10 1 0.50047275 0.06915710 0.68786611 1.0 Cu Cu11 1 0.00031784 0.92869890 0.31374736 1.0 Cu Cu12 1 0.75000000 0.43440748 0.38921928 1.0 Cu Cu13 1 0.25000000 0.56492071 0.60869198 1.0 Cu Cu14 1 0.75000000 0.93705352 0.10667615 1.0 Cu Cu15 1 0.25000000 0.06882242 0.89373646 1.0 Cu Cu16 1 0.75000000 0.17953249 0.25516092 1.0 Cu Cu17 1 0.25000000 0.82082758 0.74559745 1.0 Cu Cu18 1 0.75000000 0.68132834 0.24286436 1.0 Cu Cu19 1 0.25000000 0.32137980 0.75448357 1.0 Cu Cu20 1 0.75000000 0.07744958 0.48413692 1.0 Cu Cu21 1 0.25000000 0.91546429 0.51832630 1.0 Cu Cu22 1 0.75000000 0.58220301 0.01738265 1.0 Cu Cu23 1 0.25000000 0.41982287 0.98269359 1.0 Sn Sn24 1 0.25000000 0.63659098 0.35975238 1.0 Sn Sn25 1 0.75000000 0.86194660 0.86075889 1.0 Sn Sn26 1 0.25000000 0.13890600 0.14172724 1.0 Hg Hg27 1 0.75000000 0.36512474 0.63492616 1.0