data_[Pu8Pa8Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.6643]
_cell_length_b [7.7142]
_cell_length_c [7.7738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pu2Pa2Se5]
_chemical_formula_sum '[Pu8 Pa8 Se20]'
_cell_volume [879.4022]
_cell_formula_units_Z [4]
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  8  0.1980  0.0000  0.0000  1
  Pa  Pa1  8  0.0000  0.1474  0.3500  1
  Se  Se2  16  0.1375  0.1591  0.6555  1
  Se  Se3  4  0.0000  0.0000  0.0000  1
]