# generated using pymatgen data_ThZnCu4Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08296077 _cell_length_b 8.30201466 _cell_length_c 10.60710810 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThZnCu4Hg _chemical_formula_sum 'Th4 Zn4 Cu16 Hg4' _cell_volume 447.60739038 _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 0.25000000 0.25598158 0.55973269 1.0 Th Th1 1 0.75000000 0.74401842 0.44026731 1.0 Th Th2 1 0.25000000 0.75598158 0.94026731 1.0 Th Th3 1 0.75000000 0.24401842 0.05973269 1.0 Zn Zn4 1 0.75000000 0.68388386 0.75508360 1.0 Zn Zn5 1 0.25000000 0.31611614 0.24491640 1.0 Zn Zn6 1 0.75000000 0.18388386 0.74491640 1.0 Zn Zn7 1 0.25000000 0.81611614 0.25508360 1.0 Cu Cu8 1 0.50171901 0.56516960 0.18569663 1.0 Cu Cu9 1 0.00171901 0.43483040 0.81430337 1.0 Cu Cu10 1 0.99828099 0.06516960 0.31430337 1.0 Cu Cu11 1 0.49828099 0.93483040 0.68569663 1.0 Cu Cu12 1 0.75000000 0.93971777 0.88984739 1.0 Cu Cu13 1 0.25000000 0.06028223 0.11015261 1.0 Cu Cu14 1 0.75000000 0.43971777 0.61015261 1.0 Cu Cu15 1 0.25000000 0.56028223 0.38984739 1.0 Cu Cu16 1 0.75000000 0.58411430 0.98508289 1.0 Cu Cu17 1 0.25000000 0.41588570 0.01491711 1.0 Cu Cu18 1 0.75000000 0.08411430 0.51491711 1.0 Cu Cu19 1 0.25000000 0.91588570 0.48508289 1.0 Cu Cu20 1 0.50171901 0.06516960 0.31430337 1.0 Cu Cu21 1 0.00171901 0.93483040 0.68569663 1.0 Cu Cu22 1 0.99828099 0.56516960 0.18569663 1.0 Cu Cu23 1 0.49828099 0.43483040 0.81430337 1.0 Hg Hg24 1 0.75000000 0.36345982 0.36576017 1.0 Hg Hg25 1 0.25000000 0.63654018 0.63423983 1.0 Hg Hg26 1 0.75000000 0.86345982 0.13423983 1.0 Hg Hg27 1 0.25000000 0.13654018 0.86576017 1.0