data_[Ac16Al8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.2707]
_cell_length_b [9.3975]
_cell_length_c [16.4550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ac2AlAu3]
_chemical_formula_sum '[Ac16 Al8 Au24]'
_cell_volume [1278.9501]
_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
[
  Ac  Ac0  8  0.2383  0.0000  0.0000  1
  Ac  Ac1  8  0.2500  0.2500  0.2500  1
  Al  Al2  8  0.0000  0.0000  0.3345  1
  Au  Au3  16  0.0000  0.2356  0.4135  1
  Au  Au4  8  0.0000  0.0000  0.1762  1
]