# generated using pymatgen data_ThAl4Cu9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21202504 _cell_length_b 8.21202273 _cell_length_c 8.21202463 _cell_angle_alpha 119.91354406 _cell_angle_beta 119.91353980 _cell_angle_gamma 90.14981815 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThAl4Cu9 _chemical_formula_sum 'Th2 Al8 Cu18' _cell_volume 392.10393844 _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 0.75000000 0.75000000 0.00000000 1.0 Th Th1 1 0.25000000 0.25000000 0.00000000 1.0 Al Al2 1 0.80079826 0.30079726 0.86070706 1.0 Al Al3 1 0.44009020 0.94009120 0.13929394 1.0 Al Al4 1 0.69920374 0.55990980 0.50000000 1.0 Al Al5 1 0.05990880 0.19920274 0.50000000 1.0 Al Al6 1 0.19920374 0.69920374 0.13929394 1.0 Al Al7 1 0.55990880 0.05990880 0.86070706 1.0 Al Al8 1 0.94009120 0.80079726 0.50000000 1.0 Al Al9 1 0.30079726 0.44009120 0.50000000 1.0 Cu Cu10 1 0.20296620 0.05956228 0.26252948 1.0 Cu Cu11 1 0.79703180 0.94043872 0.73747152 1.0 Cu Cu12 1 0.29703280 0.55956128 0.85659408 1.0 Cu Cu13 1 0.70296520 0.44043772 0.14340492 1.0 Cu Cu14 1 0.44043972 0.29703280 0.73747152 1.0 Cu Cu15 1 0.55956128 0.70296520 0.26252948 1.0 Cu Cu16 1 0.94043872 0.20296620 0.14340692 1.0 Cu Cu17 1 0.05956228 0.79703280 0.85659508 1.0 Cu Cu18 1 0.49999900 0.00000000 0.49999900 1.0 Cu Cu19 1 0.00000000 0.49999900 0.49999900 1.0 Cu Cu20 1 0.29506864 0.79506764 0.73275510 1.0 Cu Cu21 1 0.06231254 0.56231354 0.26724590 1.0 Cu Cu22 1 0.20493236 0.93768746 0.49999900 1.0 Cu Cu23 1 0.43768846 0.70493336 0.50000200 1.0 Cu Cu24 1 0.70493336 0.20493236 0.26724590 1.0 Cu Cu25 1 0.93768746 0.43768846 0.73275510 1.0 Cu Cu26 1 0.56231354 0.29506864 0.50000200 1.0 Cu Cu27 1 0.79506764 0.06231254 0.49999900 1.0