data_[Tb6Dy4Pu2Se12]
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 [C2/m]
_cell_length_a [17.8604]
_cell_length_b [4.0756]
_cell_length_c [8.2221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Dy2PuSe6]
_chemical_formula_sum '[Tb6 Dy4 Pu2 Se12]'
_cell_volume [582.3483]
_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
[
  Tb  Tb0  4  0.1650  0.0000  0.8351  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Dy  Dy2  4  0.1638  0.0000  0.3285  1
  Pu  Pu3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0002  0.0000  0.2527  1
  Se  Se5  4  0.1684  0.5000  0.5822  1
  Se  Se6  4  0.1685  0.5000  0.0856  1
]