data_[U2Tl4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.3730]
_cell_length_b [8.1065]
_cell_length_c [8.0914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [UTl2Br5]
_chemical_formula_sum '[U2 Tl4 Br10]'
_cell_volume [804.8884]
_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
[
  U  U0  2  0.4850  0.5000  0.9779  1
  Tl  Tl1  2  0.1712  0.0000  0.6545  1
  Tl  Tl2  2  0.1735  0.5000  0.2221  1
  Br  Br3  4  0.0208  0.2362  0.2711  1
  Br  Br4  4  0.0699  0.2438  0.8380  1
  Br  Br5  2  0.2659  0.5000  0.7042  1
]