data_[Ac20Cd4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7997]
_cell_length_b [8.7997]
_cell_length_c [14.4569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ac5CdAu2]
_chemical_formula_sum '[Ac20 Cd4 Au8]'
_cell_volume [1119.4598]
_cell_formula_units_Z [4]
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
[
  Ac  Ac0  16  0.1559  0.3441  0.1430  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.0000  0.0000  0.2500  1
  Au  Au3  8  0.1348  0.3652  0.5000  1
]