data_[Pu2Tl4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2584]
_cell_length_b [7.8709]
_cell_length_c [8.4968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu(TlBr4)2]
_chemical_formula_sum '[Pu2 Tl4 Br16]'
_cell_volume [886.5576]
_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  0.0000  1
  Tl  Tl1  4  0.1111  0.0000  0.5442  1
  Br  Br2  8  0.0771  0.2469  0.8021  1
  Br  Br3  4  0.1665  0.0000  0.1943  1
  Br  Br4  4  0.1929  0.5000  0.4097  1
]