data_[U2Tl6Br4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5137]
_cell_length_b [9.2519]
_cell_length_c [6.1212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UTl3(BrCl3)2]
_chemical_formula_sum '[U2 Tl6 Br4 Cl12]'
_cell_volume [935.1796]
_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  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2500  0.2500  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1781  0.5000  0.1946  1
  Cl  Cl4  8  0.0661  0.1958  0.7321  1
  Cl  Cl5  4  0.1253  0.0000  0.2632  1
]