# generated using pymatgen data_LiTb9Cd3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49071296 _cell_length_b 9.49078882 _cell_length_c 9.64782859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00157035 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTb9Cd3Ru _chemical_formula_sum 'Li2 Tb18 Cd6 Ru2' _cell_volume 752.58314335 _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 Li Li0 1 0.00000000 0.00000000 0.50000000 1.0 Li Li1 1 0.00000000 0.00000000 0.00000000 1.0 Tb Tb2 1 0.20742426 0.79256701 0.43953933 1.0 Tb Tb3 1 0.20742117 0.41485357 0.43953970 1.0 Tb Tb4 1 0.58514093 0.79257179 0.43953828 1.0 Tb Tb5 1 0.79257574 0.20743299 0.56046067 1.0 Tb Tb6 1 0.79257883 0.58514643 0.56046030 1.0 Tb Tb7 1 0.41485907 0.20742821 0.56046172 1.0 Tb Tb8 1 0.79257574 0.20743299 0.93953933 1.0 Tb Tb9 1 0.79257883 0.58514643 0.93953970 1.0 Tb Tb10 1 0.41485907 0.20742821 0.93953828 1.0 Tb Tb11 1 0.20742426 0.79256701 0.06046067 1.0 Tb Tb12 1 0.20742117 0.41485357 0.06046030 1.0 Tb Tb13 1 0.58514093 0.79257179 0.06046172 1.0 Tb Tb14 1 0.54190650 0.45809354 0.25000000 1.0 Tb Tb15 1 0.54190724 0.08381231 0.25000000 1.0 Tb Tb16 1 0.91619220 0.45809558 0.25000000 1.0 Tb Tb17 1 0.45809350 0.54190646 0.75000000 1.0 Tb Tb18 1 0.45809276 0.91618769 0.75000000 1.0 Tb Tb19 1 0.08380780 0.54190442 0.75000000 1.0 Cd Cd20 1 0.89238028 0.10764179 0.25000000 1.0 Cd Cd21 1 0.89237219 0.78473538 0.25000000 1.0 Cd Cd22 1 0.21525041 0.10762663 0.25000000 1.0 Cd Cd23 1 0.10761972 0.89235821 0.75000000 1.0 Cd Cd24 1 0.10762781 0.21526462 0.75000000 1.0 Cd Cd25 1 0.78474959 0.89237337 0.75000000 1.0 Ru Ru26 1 0.33331419 0.66665773 0.25000000 1.0 Ru Ru27 1 0.66668581 0.33334227 0.75000000 1.0