data_[Ba6Cd6Ag45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.9525]
_cell_length_b [9.9525]
_cell_length_c [14.5571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Cd2Ag15]
_chemical_formula_sum '[Ba6 Cd6 Ag45]'
_cell_volume [1248.7222]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3471  1.0
  Cd  Cd1  6  0.0000  0.0000  0.1012  1.0
  Ag  Ag2  18  0.0000  0.2972  0.0000  1.0
  Ag  Ag3  18  0.0032  0.5016  0.8455  1.0
  Ag  Ag4  9  0.0000  0.5000  0.5000  1.0
]