# generated using pymatgen data_BaCd11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77557410 _cell_length_b 9.38575328 _cell_length_c 9.38575268 _cell_angle_alpha 80.14433431 _cell_angle_beta 65.48962381 _cell_angle_gamma 65.48962547 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCd11 _chemical_formula_sum 'Ba2 Cd22' _cell_volume 567.08027835 _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 0.62490276 0.75018731 0.25018731 1.0 Ba Ba1 1 0.37509724 0.24981269 0.74981269 1.0 Cd Cd2 1 0.86750532 0.33437976 0.07665942 1.0 Cd Cd3 1 0.27843029 0.16561403 0.42353276 1.0 Cd Cd4 1 0.12494939 0.74993186 0.24993186 1.0 Cd Cd5 1 0.87505061 0.25006814 0.75006814 1.0 Cd Cd6 1 -0.00000000 -0.00000000 0.00000000 1.0 Cd Cd7 1 0.50000000 0.50000000 0.00000000 1.0 Cd Cd8 1 -0.00000000 -0.00000000 0.50000000 1.0 Cd Cd9 1 -0.00000000 0.50000000 0.50000000 1.0 Cd Cd10 1 0.27843029 0.92353276 0.66561403 1.0 Cd Cd11 1 0.44397284 0.83441773 0.92330030 1.0 Cd Cd12 1 0.20186713 0.66574733 0.57677628 1.0 Cd Cd13 1 0.86750532 0.57665942 0.83437976 1.0 Cd Cd14 1 0.79813287 0.92322372 0.83425267 1.0 Cd Cd15 1 0.55602716 0.57669970 0.66558227 1.0 Cd Cd16 1 0.72156971 0.83438597 0.57646724 1.0 Cd Cd17 1 0.13249468 0.66562024 0.92334058 1.0 Cd Cd18 1 0.72156971 0.07646724 0.33438597 1.0 Cd Cd19 1 0.55602716 0.16558227 0.07669970 1.0 Cd Cd20 1 0.79813287 0.33425267 0.42322372 1.0 Cd Cd21 1 0.13249468 0.42334058 0.16562024 1.0 Cd Cd22 1 0.20186713 0.07677628 0.16574733 1.0 Cd Cd23 1 0.44397284 0.42330030 0.33441773 1.0