data_[Rb1Pu1Tl2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P2/m]
_cell_length_a [7.0642]
_cell_length_b [9.7083]
_cell_length_c [7.5244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbPu(TlBr4)2]
_chemical_formula_sum '[Rb1 Pu1 Tl2 Br8]'
_cell_volume [515.9917]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  1  0.0000  0.5000  0.0000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.5000  0.2609  0.5000  1
  Br  Br3  4  0.2382  0.2007  0.1329  1
  Br  Br4  2  0.2041  0.0000  0.6959  1
  Br  Br5  2  0.2708  0.5000  0.6360  1
]