data_[Ac8Sn20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.0700]
_cell_length_b [14.0461]
_cell_length_c [6.9880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ac2Sn5Au3]
_chemical_formula_sum '[Ac8 Sn20 Au12]'
_cell_volume [1086.5698]
_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  8  0.2390  0.1206  0.0000  1
  Sn  Sn1  8  0.0000  0.2606  0.2500  1
  Sn  Sn2  8  0.1268  0.1186  0.5000  1
  Sn  Sn3  4  0.0000  0.5000  0.2500  1
  Au  Au4  8  0.1324  0.3782  0.0000  1
  Au  Au5  4  0.0000  0.0000  0.2500  1
]