data_[Ac96Fe40Pb24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.9040]
_cell_length_b [17.9040]
_cell_length_c [17.9040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ac12Fe5Pb3]
_chemical_formula_sum '[Ac96 Fe40 Pb24]'
_cell_volume [5739.1855]
_cell_formula_units_Z [8]
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  96  0.0338  0.5503  0.3511  1
  Fe  Fe1  24  0.0000  0.2500  0.3750  1
  Fe  Fe2  16  0.0000  0.0000  0.0000  1
  Pb  Pb3  24  0.0000  0.2500  0.1250  1
]