data_[Cd18Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.7567]
_cell_length_b [12.7567]
_cell_length_c [5.8350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd3Au4]
_chemical_formula_sum '[Cd18 Au24]'
_cell_volume [822.3313]
_cell_formula_units_Z [6]
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  0.0505  0.8248  0.7086  1.0
  Au  Au1  18  0.0541  0.7946  0.2003  1.0
  Au  Au2  3  0.0000  -0.0000  0.0000  1.0
  Au  Au3  3  0.0000  -0.0000  0.5000  1.0
]