data_[Cd36In3Ag18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.8171]
_cell_length_b [12.8171]
_cell_length_c [9.2829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd12InAg6]
_chemical_formula_sum '[Cd36 In3 Ag18]'
_cell_volume [1320.6715]
_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  0.0000  0.3853  0.5000  1.0
  Cd  Cd1  18  0.0835  0.1670  0.2766  1.0
  In  In2  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  18  0.0718  0.5359  0.2348  1.0
]