data_[Ac12Tl6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.5131]
_cell_length_b [6.5131]
_cell_length_c [22.5843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ac6Tl3Pb2]
_chemical_formula_sum '[Ac12 Tl6 Pb4]'
_cell_volume [958.0511]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.0880  1
  Ac  Ac1  4  0.0000  0.0000  0.2884  1
  Tl  Tl2  4  0.0000  0.0000  0.1457  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Pb  Pb4  4  0.0000  0.0000  0.4333  1
]