data_[Tb1Dy1Pu2Se5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1461]
_cell_length_b [5.1461]
_cell_length_c [10.7905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbDyPu2Se5]
_chemical_formula_sum '[Tb1 Dy1 Pu2 Se5]'
_cell_volume [285.7582]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1
  Dy  Dy1  1  0.0000  0.0000  0.5000  1
  Pu  Pu2  2  0.5000  0.5000  0.3092  1
  Se  Se3  2  0.0000  0.0000  0.2444  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
  Se  Se5  1  0.5000  0.5000  0.0000  1
]