# generated using pymatgen data_ThZn2(Ga2Pd)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42086877 _cell_length_b 8.42086849 _cell_length_c 8.42086825 _cell_angle_alpha 90.15825918 _cell_angle_beta 90.15826434 _cell_angle_gamma 90.15827087 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThZn2(Ga2Pd)3 _chemical_formula_sum 'Th3 Zn6 Ga18 Pd9' _cell_volume 597.12558119 _cell_formula_units_Z 3 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 0.00000000 0.50000000 0.00000000 1.0 Th Th1 1 0.50000000 0.00000000 0.00000000 1.0 Th Th2 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn3 1 0.73361065 0.50000000 0.26638935 1.0 Zn Zn4 1 0.26638935 0.50000000 0.73361065 1.0 Zn Zn5 1 0.50000000 0.26638935 0.73361065 1.0 Zn Zn6 1 0.50000000 0.73361065 0.26638935 1.0 Zn Zn7 1 0.26638935 0.73361065 0.50000000 1.0 Zn Zn8 1 0.73361065 0.26638935 0.50000000 1.0 Ga Ga9 1 0.99637427 0.63759987 0.63759987 1.0 Ga Ga10 1 0.63759987 0.63759987 0.99637427 1.0 Ga Ga11 1 0.63759987 0.99637427 0.63759987 1.0 Ga Ga12 1 0.00362573 0.36240013 0.36240013 1.0 Ga Ga13 1 0.36240013 0.36240013 0.00362573 1.0 Ga Ga14 1 0.36240013 0.00362573 0.36240013 1.0 Ga Ga15 1 0.83774056 0.13636869 0.83774056 1.0 Ga Ga16 1 0.13636869 0.83774056 0.83774056 1.0 Ga Ga17 1 0.83774056 0.83774056 0.13636869 1.0 Ga Ga18 1 0.16225944 0.86363131 0.16225944 1.0 Ga Ga19 1 0.86363131 0.16225944 0.16225944 1.0 Ga Ga20 1 0.16225944 0.16225944 0.86363131 1.0 Ga Ga21 1 0.72863193 0.48702011 0.72863193 1.0 Ga Ga22 1 0.48702011 0.72863193 0.72863193 1.0 Ga Ga23 1 0.72863193 0.72863193 0.48702011 1.0 Ga Ga24 1 0.27136807 0.51297989 0.27136807 1.0 Ga Ga25 1 0.51297989 0.27136807 0.27136807 1.0 Ga Ga26 1 0.27136807 0.27136807 0.51297989 1.0 Pd Pd27 1 0.82909054 0.82909054 0.82909054 1.0 Pd Pd28 1 0.17090946 0.17090946 0.17090946 1.0 Pd Pd29 1 0.66716155 0.33283845 1.00000000 1.0 Pd Pd30 1 0.00000000 0.33283845 0.66716155 1.0 Pd Pd31 1 0.33283845 0.00000000 0.66716155 1.0 Pd Pd32 1 0.33283845 0.66716155 0.00000000 1.0 Pd Pd33 1 1.00000000 0.66716155 0.33283845 1.0 Pd Pd34 1 0.66716155 1.00000000 0.33283845 1.0 Pd Pd35 1 0.50000000 0.50000000 0.50000000 1.0