# generated using pymatgen data_Ba3LiCd11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.38082446 _cell_length_b 10.38082391 _cell_length_c 8.63018306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000175 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3LiCd11 _chemical_formula_sum 'Ba6 Li2 Cd22' _cell_volume 805.40496638 _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 Ba Ba0 1 0.52414451 0.04829103 0.25000000 1.0 Ba Ba1 1 0.47585549 0.95170897 0.75000000 1.0 Ba Ba2 1 0.95170897 0.47585549 0.25000000 1.0 Ba Ba3 1 0.04829103 0.52414451 0.75000000 1.0 Ba Ba4 1 0.52414451 0.47585549 0.25000000 1.0 Ba Ba5 1 0.47585549 0.52414451 0.75000000 1.0 Li Li6 1 0.00000000 0.00000000 0.00000000 1.0 Li Li7 1 0.00000000 0.00000000 0.50000000 1.0 Cd Cd8 1 0.16724497 0.33448894 0.05904643 1.0 Cd Cd9 1 0.83275503 0.66551106 0.94095357 1.0 Cd Cd10 1 0.66551106 0.83275503 0.05904643 1.0 Cd Cd11 1 0.83275503 0.66551106 0.55904643 1.0 Cd Cd12 1 0.33448894 0.16724497 0.94095357 1.0 Cd Cd13 1 0.16724497 0.33448894 0.44095357 1.0 Cd Cd14 1 0.16724497 0.83275503 0.05904643 1.0 Cd Cd15 1 0.33448894 0.16724497 0.55904643 1.0 Cd Cd16 1 0.83275503 0.16724497 0.94095357 1.0 Cd Cd17 1 0.66551106 0.83275503 0.44095357 1.0 Cd Cd18 1 0.83275503 0.16724497 0.55904643 1.0 Cd Cd19 1 0.16724497 0.83275503 0.44095357 1.0 Cd Cd20 1 0.89982384 0.79964667 0.25000000 1.0 Cd Cd21 1 0.10017616 0.20035333 0.75000000 1.0 Cd Cd22 1 0.20035333 0.10017616 0.25000000 1.0 Cd Cd23 1 0.79964667 0.89982384 0.75000000 1.0 Cd Cd24 1 0.89982384 0.10017616 0.25000000 1.0 Cd Cd25 1 0.10017616 0.89982384 0.75000000 1.0 Cd Cd26 1 0.33333300 0.66666700 0.07599280 1.0 Cd Cd27 1 0.66666700 0.33333300 0.92400720 1.0 Cd Cd28 1 0.66666700 0.33333300 0.57599280 1.0 Cd Cd29 1 0.33333300 0.66666700 0.42400720 1.0