# generated using pymatgen data_Ba5Cd2Sb5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.02281719 _cell_length_b 12.02281719 _cell_length_c 15.56175300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 156.05604763 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Cd2Sb5F _chemical_formula_sum 'Ba10 Cd4 Sb10 F2' _cell_volume 912.91187267 _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 0.00000000 0.00000000 0.50000000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1.0 Ba Ba2 1 0.90449800 0.09550200 0.75000000 1.0 Ba Ba3 1 0.09550200 0.90449800 0.25000000 1.0 Ba Ba4 1 0.10143900 0.89856100 0.75000000 1.0 Ba Ba5 1 0.89856100 0.10143900 0.25000000 1.0 Ba Ba6 1 0.72532500 0.27467500 0.11791500 1.0 Ba Ba7 1 0.27467500 0.72532500 0.61791500 1.0 Ba Ba8 1 0.27467500 0.72532500 0.88208500 1.0 Ba Ba9 1 0.72532500 0.27467500 0.38208500 1.0 Cd Cd10 1 0.63348300 0.36651700 0.58925000 1.0 Cd Cd11 1 0.36651700 0.63348300 0.08925000 1.0 Cd Cd12 1 0.36651700 0.63348300 0.41075000 1.0 Cd Cd13 1 0.63348300 0.36651700 0.91075000 1.0 Sb Sb14 1 0.50947200 0.49052800 0.65847400 1.0 Sb Sb15 1 0.49052800 0.50947200 0.15847400 1.0 Sb Sb16 1 0.49052800 0.50947200 0.34152600 1.0 Sb Sb17 1 0.50947200 0.49052800 0.84152600 1.0 Sb Sb18 1 0.70809300 0.29190700 0.75000000 1.0 Sb Sb19 1 0.29190700 0.70809300 0.25000000 1.0 Sb Sb20 1 0.85117700 0.14882300 0.51014900 1.0 Sb Sb21 1 0.14882300 0.85117700 0.01014900 1.0 Sb Sb22 1 0.14882300 0.85117700 0.48985100 1.0 Sb Sb23 1 0.85117700 0.14882300 0.98985100 1.0 F F24 1 0.34989600 0.65010400 0.75000000 1.0 F F25 1 0.65010400 0.34989600 0.25000000 1.0