data_[Ac12Al2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.3701]
_cell_length_b [5.8649]
_cell_length_c [12.7420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6AlPb3]
_chemical_formula_sum '[Ac12 Al2 Pb6]'
_cell_volume [735.9026]
_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  2  0.0961  0.7500  0.8725  1
  Ac  Ac1  2  0.1353  0.7500  0.1668  1
  Ac  Ac2  2  0.1578  0.2500  0.6772  1
  Ac  Ac3  2  0.2285  0.7500  0.5087  1
  Ac  Ac4  2  0.3528  0.2500  0.3331  1
  Ac  Ac5  2  0.4714  0.7500  0.0950  1
  Al  Al6  2  0.0550  0.2500  0.3957  1
  Pb  Pb7  2  0.2168  0.2500  0.0362  1
  Pb  Pb8  2  0.3749  0.7500  0.7959  1
  Pb  Pb9  2  0.4826  0.2500  0.6194  1
]