data_[Cd18Ag36Bi3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.4887]
_cell_length_b [12.4887]
_cell_length_c [9.1076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd6Ag12Bi]
_chemical_formula_sum '[Cd18 Ag36 Bi3]'
_cell_volume [1230.1851]
_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
[
  Cd  Cd0  18  0.0713  0.5357  0.2324  1
  Ag  Ag1  18  0.0000  0.3880  0.5000  1
  Ag  Ag2  18  0.0815  0.1630  0.2650  1
  Bi  Bi3  3  0.0000  0.0000  0.0000  1
]