# generated using pymatgen data_ThCu5Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06374806 _cell_length_b 8.30615293 _cell_length_c 10.45454241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThCu5Hg _chemical_formula_sum 'Th4 Cu20 Hg4' _cell_volume 439.72083247 _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 Th Th0 1 0.75000000 0.24480220 0.93593978 1.0 Th Th1 1 0.25000000 0.75519780 0.06406022 1.0 Th Th2 1 0.75000000 0.74480220 0.56406022 1.0 Th Th3 1 0.25000000 0.25519780 0.43593978 1.0 Cu Cu4 1 0.99948148 0.43303442 0.18569146 1.0 Cu Cu5 1 0.49948148 0.56696558 0.81430854 1.0 Cu Cu6 1 0.50051852 0.93303442 0.31430854 1.0 Cu Cu7 1 0.00051852 0.06696558 0.68569146 1.0 Cu Cu8 1 0.00051852 0.56696558 0.81430854 1.0 Cu Cu9 1 0.50051852 0.43303442 0.18569146 1.0 Cu Cu10 1 0.49948148 0.06696558 0.68569146 1.0 Cu Cu11 1 0.99948148 0.93303442 0.31430854 1.0 Cu Cu12 1 0.75000000 0.44409948 0.38809373 1.0 Cu Cu13 1 0.25000000 0.55590052 0.61190627 1.0 Cu Cu14 1 0.75000000 0.94409948 0.11190627 1.0 Cu Cu15 1 0.25000000 0.05590052 0.88809373 1.0 Cu Cu16 1 0.75000000 0.18385830 0.25788308 1.0 Cu Cu17 1 0.25000000 0.81614170 0.74211692 1.0 Cu Cu18 1 0.75000000 0.68385830 0.24211692 1.0 Cu Cu19 1 0.25000000 0.31614170 0.75788308 1.0 Cu Cu20 1 0.75000000 0.08233710 0.48482627 1.0 Cu Cu21 1 0.25000000 0.91766290 0.51517373 1.0 Cu Cu22 1 0.75000000 0.58233710 0.01517373 1.0 Cu Cu23 1 0.25000000 0.41766290 0.98482627 1.0 Hg Hg24 1 0.75000000 0.36222391 0.63458203 1.0 Hg Hg25 1 0.25000000 0.63777609 0.36541797 1.0 Hg Hg26 1 0.75000000 0.86222391 0.86541797 1.0 Hg Hg27 1 0.25000000 0.13777609 0.13458203 1.0