data_[Li12Ac8Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.4654]
_cell_length_b [14.3950]
_cell_length_c [6.7697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li3Ac2Pb5]
_chemical_formula_sum '[Li12 Ac8 Pb20]'
_cell_volume [1117.2955]
_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
[
  Li  Li0  8  0.0900  0.3578  0.5000  1
  Li  Li1  4  0.0000  0.0000  0.2500  1
  Ac  Ac2  8  0.2320  0.3608  0.0000  1
  Pb  Pb3  8  0.0000  0.2175  0.2500  1
  Pb  Pb4  8  0.1809  0.0920  0.0000  1
  Pb  Pb5  4  0.0000  0.5000  0.2500  1
]