data_[Pr1Pu3Zn8]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5843]
_cell_length_b [5.5843]
_cell_length_c [8.6586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrPu3Zn8]
_chemical_formula_sum '[Pr1 Pu3 Zn8]'
_cell_volume [233.8355]
_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  0.5637  1
  Pu  Pu1  1  0.0000  0.0000  0.9521  1
  Pu  Pu2  1  0.6667  0.3333  0.0593  1
  Pu  Pu3  1  0.6667  0.3333  0.4272  1
  Zn  Zn4  3  0.1691  0.3382  0.2477  1
  Zn  Zn5  3  0.5008  0.0017  0.7519  1
  Zn  Zn6  1  0.3333  0.6667  0.5009  1
  Zn  Zn7  1  0.3333  0.6667  0.9981  1
]