# generated using pymatgen data_Th2Zn3Cu8Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06539478 _cell_length_b 8.17095174 _cell_length_c 10.37933556 _cell_angle_alpha 90.24684809 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Zn3Cu8Au _chemical_formula_sum 'Th4 Zn6 Cu16 Au2' _cell_volume 429.58733222 _cell_formula_units_Z 2 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 0.26326998 0.55648982 1.0 Th Th1 1 0.75000000 0.73673002 0.44351018 1.0 Th Th2 1 0.25000000 0.75766841 0.93454948 1.0 Th Th3 1 0.75000000 0.24233159 0.06545052 1.0 Zn Zn4 1 0.75000000 0.85591347 0.13899191 1.0 Zn Zn5 1 0.25000000 0.14408653 0.86100809 1.0 Zn Zn6 1 0.75000000 0.68478727 0.75109833 1.0 Zn Zn7 1 0.25000000 0.31521273 0.24890167 1.0 Zn Zn8 1 0.75000000 0.18089556 0.75244190 1.0 Zn Zn9 1 0.25000000 0.81910444 0.24755810 1.0 Cu Cu10 1 0.50412295 0.56833646 0.18566250 1.0 Cu Cu11 1 0.00412295 0.43166354 0.81433750 1.0 Cu Cu12 1 0.99440211 0.06034763 0.30844273 1.0 Cu Cu13 1 0.49440211 0.93965237 0.69155727 1.0 Cu Cu14 1 0.75000000 0.93731072 0.90370088 1.0 Cu Cu15 1 0.25000000 0.06268928 0.09629912 1.0 Cu Cu16 1 0.75000000 0.43806940 0.60972715 1.0 Cu Cu17 1 0.25000000 0.56193060 0.39027285 1.0 Cu Cu18 1 0.75000000 0.59571151 0.98512568 1.0 Cu Cu19 1 0.25000000 0.40428849 0.01487432 1.0 Cu Cu20 1 0.75000000 0.08861352 0.51392541 1.0 Cu Cu21 1 0.25000000 0.91138648 0.48607459 1.0 Cu Cu22 1 0.50559789 0.06034763 0.30844273 1.0 Cu Cu23 1 0.00559789 0.93965237 0.69155727 1.0 Cu Cu24 1 0.99587705 0.56833646 0.18566250 1.0 Cu Cu25 1 0.49587705 0.43166354 0.81433750 1.0 Au Au26 1 0.75000000 0.36161364 0.36263239 1.0 Au Au27 1 0.25000000 0.63838636 0.63736761 1.0