data_[Ba4Cd12Ag8]
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 [C2/m]
_cell_length_a [17.5203]
_cell_length_b [4.6181]
_cell_length_c [9.0608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCd3Ag2]
_chemical_formula_sum '[Ba4 Cd12 Ag8]'
_cell_volume [657.1241]
_cell_formula_units_Z [4]
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  4  0.1469  0.0000  0.0697  1.0
  Cd  Cd1  4  0.0345  0.0000  0.3713  1.0
  Cd  Cd2  4  0.0987  0.5000  0.6853  1.0
  Cd  Cd3  4  0.1832  0.5000  0.4514  1.0
  Ag  Ag4  4  0.0178  0.5000  0.1656  1.0
  Ag  Ag5  4  0.1937  0.0000  0.6805  1.0
]