data_[Ac4Cd4Au16]
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 [Pbam]
_cell_length_a [7.1416]
_cell_length_b [19.2956]
_cell_length_c [4.2612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [AcCdAu4]
_chemical_formula_sum '[Ac4 Cd4 Au16]'
_cell_volume [587.1982]
_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  4  0.2260  0.1653  0.0000  1
  Cd  Cd1  4  0.1731  0.4406  0.0000  1
  Au  Au2  4  0.0519  0.9279  0.5000  1
  Au  Au3  4  0.0789  0.7808  0.5000  1
  Au  Au4  4  0.0862  0.3464  0.5000  1
  Au  Au5  4  0.1673  0.5423  0.5000  1
]