data_[Ac12Pb12Au4]
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 [C2/m]
_cell_length_a [12.3825]
_cell_length_b [4.9337]
_cell_length_c [16.5271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Pb3Au]
_chemical_formula_sum '[Ac12 Pb12 Au4]'
_cell_volume [948.8901]
_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  0.0310  0.5000  0.3829  1
  Ac  Ac1  4  0.0978  0.5000  0.9228  1
  Ac  Ac2  4  0.2396  0.5000  0.2348  1
  Pb  Pb3  4  0.0208  0.0000  0.2327  1
  Pb  Pb4  4  0.1283  0.0000  0.0767  1
  Pb  Pb5  4  0.1460  0.0000  0.5367  1
  Au  Au6  4  0.2418  0.0000  0.3805  1
]