data_[Ac20Ir8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.9873]
_cell_length_b [8.9387]
_cell_length_c [7.9972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac5(IrPb)2]
_chemical_formula_sum '[Ac20 Ir8 Pb8]'
_cell_volume [1214.3252]
_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  16  0.1178  0.1733  0.3471  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  Ir  Ir2  8  0.0000  0.1257  0.6412  1
  Pb  Pb3  8  0.2131  0.0000  0.0000  1
]