data_[Ac6Pr1Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.1340]
_cell_length_b [8.1340]
_cell_length_c [9.6407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Ac6PrPb6]
_chemical_formula_sum '[Ac6 Pr1 Pb6]'
_cell_volume [552.3860]
_cell_formula_units_Z [1]
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  6  0.0000  0.5000  0.2543  1
  Pr  Pr1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.0000  0.0000  0.3353  1
  Pb  Pb3  2  0.3333  0.6667  0.0000  1
  Pb  Pb4  2  0.3333  0.6667  0.5000  1
]