# generated using pymatgen data_Th5Zr3(Cu4Si3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.91199823 _cell_length_b 12.91199841 _cell_length_c 4.00788245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000206 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th5Zr3(Cu4Si3)4 _chemical_formula_sum 'Th5 Zr3 Cu16 Si12' _cell_volume 578.67206742 _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 0.18579576 0.18579576 0.50000000 1.0 Th Th1 1 0.81420424 1.00000000 0.50000000 1.0 Th Th2 1 1.00000000 0.81420424 0.50000000 1.0 Th Th3 1 0.33333300 0.66666700 0.00000000 1.0 Th Th4 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr5 1 0.57483127 0.57483127 0.00000000 1.0 Zr Zr6 1 0.42516873 1.00000000 0.00000000 1.0 Zr Zr7 1 1.00000000 0.42516873 0.00000000 1.0 Cu Cu8 1 0.72599035 0.72599035 0.50000000 1.0 Cu Cu9 1 0.27400965 0.00000000 0.50000000 1.0 Cu Cu10 1 0.00000000 0.27400965 0.50000000 1.0 Cu Cu11 1 0.18890361 0.37724291 0.00000000 1.0 Cu Cu12 1 0.62275709 0.81165871 0.00000000 1.0 Cu Cu13 1 0.18834129 0.81109639 0.00000000 1.0 Cu Cu14 1 0.81165871 0.62275709 0.00000000 1.0 Cu Cu15 1 0.81109639 0.18834129 0.00000000 1.0 Cu Cu16 1 0.37724291 0.18890361 0.00000000 1.0 Cu Cu17 1 0.36543540 0.48371385 0.50000000 1.0 Cu Cu18 1 0.51628615 0.88172255 0.50000000 1.0 Cu Cu19 1 0.11827745 0.63456460 0.50000000 1.0 Cu Cu20 1 0.88172255 0.51628615 0.50000000 1.0 Cu Cu21 1 0.63456460 0.11827745 0.50000000 1.0 Cu Cu22 1 0.48371385 0.36543540 0.50000000 1.0 Cu Cu23 1 0.00000000 0.00000000 0.00000000 1.0 Si Si24 1 0.81830906 0.81830906 0.00000000 1.0 Si Si25 1 0.18169094 0.00000000 0.00000000 1.0 Si Si26 1 0.00000000 0.18169094 0.00000000 1.0 Si Si27 1 0.17099282 0.47610004 0.50000000 1.0 Si Si28 1 0.52389996 0.69489278 0.50000000 1.0 Si Si29 1 0.30510722 0.82900718 0.50000000 1.0 Si Si30 1 0.69489278 0.52389996 0.50000000 1.0 Si Si31 1 0.82900718 0.30510722 0.50000000 1.0 Si Si32 1 0.47610004 0.17099282 0.50000000 1.0 Si Si33 1 0.36944251 0.36944251 0.00000000 1.0 Si Si34 1 0.63055749 1.00000000 0.00000000 1.0 Si Si35 1 1.00000000 0.63055749 0.00000000 1.0