data_[Pu8Th2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8363]
_cell_length_b [4.1366]
_cell_length_c [10.2052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu4ThSe5]
_chemical_formula_sum '[Pu8 Th2 Se10]'
_cell_volume [507.5794]
_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
[
  Pu  Pu0  4  0.0983  0.5000  0.3969  1
  Pu  Pu1  4  0.2019  0.0000  0.8001  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.1036  0.5000  0.8972  1
  Se  Se4  4  0.2032  0.0000  0.3058  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
]