data_[Tb9Dy3Pu9Se24]
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 [R-3m]
_cell_length_a [8.2160]
_cell_length_b [8.2160]
_cell_length_c [20.2136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb3DyPu3Se8]
_chemical_formula_sum '[Tb9 Dy3 Pu9 Se24]'
_cell_volume [1181.6545]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Dy  Dy1  3  -0.0000  -0.0000  0.0000  1
  Pu  Pu2  9  0.0000  0.5000  0.5000  1
  Se  Se3  18  0.0022  0.5011  0.2511  1
  Se  Se4  6  0.0000  0.0000  0.2508  1
]