data_[Rb96Cd24Au40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [21.2768]
_cell_length_b [21.2768]
_cell_length_c [21.2768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Rb12Cd3Au5]
_chemical_formula_sum '[Rb96 Cd24 Au40]'
_cell_volume [9632.1179]
_cell_formula_units_Z [8]
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
[
  Rb  Rb0  96  0.0248  0.0647  0.6491  1
  Cd  Cd1  24  0.0000  0.2500  0.1250  1
  Au  Au2  24  0.0000  0.2500  0.3750  1
  Au  Au3  16  0.0000  0.0000  0.0000  1
]