data_[Pu1Pa3Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9820]
_cell_length_b [4.9820]
_cell_length_c [8.3870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PuPa3Ni8]
_chemical_formula_sum '[Pu1 Pa3 Ni8]'
_cell_volume [180.2813]
_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
[
  Pu  Pu0  1  0.0000  0.0000  0.5490  1
  Pa  Pa1  1  0.0000  0.0000  0.9229  1
  Pa  Pa2  1  0.6667  0.3333  0.0669  1
  Pa  Pa3  1  0.6667  0.3333  0.4624  1
  Ni  Ni4  3  0.0039  0.5019  0.7530  1
  Ni  Ni5  3  0.1679  0.3358  0.2469  1
  Ni  Ni6  1  0.3333  0.6667  0.0022  1
  Ni  Ni7  1  0.3333  0.6667  0.4970  1
]