data_[Ac4Pb12Au4]
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 [Cmmm]
_cell_length_a [4.7367]
_cell_length_b [29.3805]
_cell_length_c [4.5913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [AcPb3Au]
_chemical_formula_sum '[Ac4 Pb12 Au4]'
_cell_volume [638.9544]
_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  0.0000  0.1647  0.5000  1
  Pb  Pb1  4  0.0000  0.0578  0.0000  1
  Pb  Pb2  4  0.0000  0.2811  0.0000  1
  Pb  Pb3  4  0.0000  0.4435  0.5000  1
  Au  Au4  4  0.0000  0.3773  0.0000  1
]