data_[Cd36Ga3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0490]
_cell_length_b [10.0490]
_cell_length_c [13.3306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd12GaAu6]
_chemical_formula_sum '[Cd36 Ga3 Au18]'
_cell_volume [1165.8028]
_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  0.0448  0.1856  0.8017  1
  Cd  Cd1  18  0.0626  0.8379  0.4160  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.0337  0.4409  0.7133  1
]