data_[U4Tl4Br20]
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 [C2/c]
_cell_length_a [12.9078]
_cell_length_b [8.8553]
_cell_length_c [11.2979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [UTlBr5]
_chemical_formula_sum '[U4 Tl4 Br20]'
_cell_volume [1176.3203]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.4686  0.7500  1
  Br  Br2  8  0.0787  0.2904  0.4993  1
  Br  Br3  8  0.2171  0.1039  0.1203  1
  Br  Br4  4  0.0000  0.0721  0.7500  1
]