data_[Ba6Pu4Se4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4751]
_cell_length_b [4.4751]
_cell_length_c [25.8478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Pu2Se2O5]
_chemical_formula_sum '[Ba6 Pu4 Se4 O10]'
_cell_volume [517.6341]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  4  0.0000  0.0000  0.1735  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  4  0.0000  0.0000  0.4164  1
  Se  Se3  4  0.0000  0.0000  0.3034  1
  O  O4  8  0.0000  0.5000  0.0822  1
  O  O5  2  0.0000  0.0000  0.5000  1
]