data_[Pu4Hf2Tl4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1129]
_cell_length_b [12.2366]
_cell_length_c [8.1555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Hf(TlSe3)2]
_chemical_formula_sum '[Pu4 Hf2 Tl4 Se12]'
_cell_volume [677.6304]
_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  0.0000  0.3331  0.5000  1
  Hf  Hf1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.0000  0.1706  0.0000  1
  Se  Se3  8  0.2262  0.1565  0.6994  1
  Se  Se4  4  0.2430  0.0000  0.2991  1
]