data_[Pr1Pu3Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.6354]
_cell_length_b [5.6354]
_cell_length_c [8.8315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrPu3Al8]
_chemical_formula_sum '[Pr1 Pu3 Al8]'
_cell_volume [242.8945]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.5750  1
  Pu  Pu1  1  0.0000  0.0000  0.9329  1
  Pu  Pu2  1  0.6667  0.3333  0.0904  1
  Pu  Pu3  1  0.6667  0.3333  0.3995  1
  Al  Al4  3  0.1610  0.3220  0.2485  1
  Al  Al5  3  0.5064  0.0127  0.7532  1
  Al  Al6  1  0.3333  0.6667  0.0005  1
  Al  Al7  1  0.3333  0.6667  0.4966  1
]