data_[Ac8Pd16Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.5563]
_cell_length_b [17.5217]
_cell_length_c [7.6584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac2Pd4Pb3]
_chemical_formula_sum '[Ac8 Pd16 Pb12]'
_cell_volume [879.7770]
_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  8  0.0000  0.1049  0.4166  1
  Pd  Pd1  8  0.0000  0.1631  0.0179  1
  Pd  Pd2  8  0.2500  0.0709  0.7500  1
  Pb  Pb3  8  0.2500  0.2359  0.7500  1
  Pb  Pb4  4  0.0000  0.0000  0.0000  1
]