data_[Pu2Tl2In2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [7.7657]
_cell_length_b [7.7657]
_cell_length_c [14.4503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [PuTlInI6]
_chemical_formula_sum '[Pu2 Tl2 In2 I12]'
_cell_volume [871.4325]
_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  2  0.0000  0.0000  0.3321  1
  Tl  Tl1  2  0.0000  0.0000  0.9995  1
  In  In2  2  0.0000  0.0000  0.6664  1
  I  I3  4  0.1831  0.8169  0.4910  1
  I  I4  4  0.1968  0.8032  0.1837  1
  I  I5  4  0.2232  0.7768  0.8264  1
]