# generated using pymatgen data_Th2Sn4Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60370001 _cell_length_b 7.10505034 _cell_length_c 4.25483775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.35010684 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Sn4Ru3 _chemical_formula_sum 'Th2 Sn4 Ru3' _cell_volume 194.18964267 _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 0.99840754 0.58238954 0.00000000 1.0 Th Th1 1 0.41601901 0.41761046 0.00000000 1.0 Sn Sn2 1 0.60302732 0.00000000 0.00000000 1.0 Sn Sn3 1 0.74953353 0.73264102 0.50000000 1.0 Sn Sn4 1 0.01689251 0.26735898 0.50000000 1.0 Sn Sn5 1 0.22682133 1.00000000 0.50000000 1.0 Ru Ru6 1 0.36662040 0.72118225 0.50000000 1.0 Ru Ru7 1 0.64543814 0.27881775 0.50000000 1.0 Ru Ru8 1 0.97724221 1.00000000 0.00000000 1.0