data_[Pu4U8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9703]
_cell_length_b [13.4466]
_cell_length_c [13.8404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pu(USe2)2]
_chemical_formula_sum '[Pu4 U8 Se16]'
_cell_volume [738.9046]
_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  4  0.0000  0.3907  0.2500  1
  U  U1  8  0.0000  0.1387  0.0624  1
  Se  Se2  8  0.0000  0.2230  0.6290  1
  Se  Se3  4  0.0000  0.0527  0.2500  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]