data_[Li2Pu2Tl4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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_1/c]
_cell_length_a [7.5872]
_cell_length_b [8.0133]
_cell_length_c [13.2366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiPu(TlBr3)2]
_chemical_formula_sum '[Li2 Pu2 Tl4 Br12]'
_cell_volume [662.9449]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1
  Pu  Pu1  2  0.5000  0.0000  0.0000  1
  Tl  Tl2  4  0.2255  0.5731  0.7482  1
  Br  Br3  4  0.1491  0.7048  0.4527  1
  Br  Br4  4  0.2579  0.1995  0.4570  1
  Br  Br5  4  0.3350  0.5206  0.2440  1
]