data_[Ac8Pb16Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6958]
_cell_length_b [18.8130]
_cell_length_c [11.0744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcPb2Au]
_chemical_formula_sum '[Ac8 Pb16 Au8]'
_cell_volume [978.3394]
_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  4  0.0000  0.3181  0.7500  1
  Ac  Ac1  4  0.0000  0.5000  0.0000  1
  Pb  Pb2  8  0.0000  0.2981  0.0852  1
  Pb  Pb3  4  0.0000  0.0399  0.2500  1
  Pb  Pb4  4  0.0000  0.1217  0.7500  1
  Au  Au5  8  0.0000  0.1319  0.0374  1
]