# generated using pymatgen data_Th2SiPd14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94468507 _cell_length_b 8.94468507 _cell_length_c 7.05943247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2SiPd14 _chemical_formula_sum 'Th4 Si2 Pd28' _cell_volume 564.80677399 _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 0.50000000 0.00000000 0.92879833 1.0 Th Th1 1 0.00000000 0.50000000 0.07120167 1.0 Th Th2 1 0.00000000 0.00000000 0.50000000 1.0 Th Th3 1 0.50000000 0.50000000 0.50000000 1.0 Si Si4 1 0.50000000 0.00000000 0.44321547 1.0 Si Si5 1 0.00000000 0.50000000 0.55678453 1.0 Pd Pd6 1 0.33566394 0.83566394 0.61365107 1.0 Pd Pd7 1 0.33566394 0.16433606 0.61365107 1.0 Pd Pd8 1 0.66433606 0.83566394 0.61365107 1.0 Pd Pd9 1 0.66433606 0.16433606 0.61365107 1.0 Pd Pd10 1 0.16433606 0.66433606 0.38634893 1.0 Pd Pd11 1 0.16433606 0.33566394 0.38634893 1.0 Pd Pd12 1 0.83566394 0.66433606 0.38634893 1.0 Pd Pd13 1 0.83566394 0.33566394 0.38634893 1.0 Pd Pd14 1 0.50000000 0.77039218 0.25577927 1.0 Pd Pd15 1 0.50000000 0.22960782 0.25577927 1.0 Pd Pd16 1 0.27039218 0.00000000 0.25577927 1.0 Pd Pd17 1 0.72960782 0.00000000 0.25577927 1.0 Pd Pd18 1 0.00000000 0.72960782 0.74422073 1.0 Pd Pd19 1 0.00000000 0.27039218 0.74422073 1.0 Pd Pd20 1 0.22960782 0.50000000 0.74422073 1.0 Pd Pd21 1 0.77039218 0.50000000 0.74422073 1.0 Pd Pd22 1 0.50000000 0.34847812 0.85245047 1.0 Pd Pd23 1 0.50000000 0.65152188 0.85245047 1.0 Pd Pd24 1 0.84847812 0.00000000 0.85245047 1.0 Pd Pd25 1 0.15152188 0.00000000 0.85245047 1.0 Pd Pd26 1 0.00000000 0.15152188 0.14754953 1.0 Pd Pd27 1 0.00000000 0.84847812 0.14754953 1.0 Pd Pd28 1 0.65152188 0.50000000 0.14754953 1.0 Pd Pd29 1 0.34847812 0.50000000 0.14754953 1.0 Pd Pd30 1 0.25000000 0.75000000 0.00000000 1.0 Pd Pd31 1 0.25000000 0.25000000 0.00000000 1.0 Pd Pd32 1 0.75000000 0.75000000 0.00000000 1.0 Pd Pd33 1 0.75000000 0.25000000 0.00000000 1.0