data_[U2Tl6Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6003]
_cell_length_b [8.3183]
_cell_length_c [13.0419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [U(TlCl2)3]
_chemical_formula_sum '[U2 Tl6 Cl12]'
_cell_volume [696.2451]
_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  0.0000  1
  Tl  Tl1  4  0.2929  0.0694  0.7683  1
  Tl  Tl2  2  0.5000  0.0000  0.5000  1
  Cl  Cl3  4  0.0957  0.0681  0.2314  1
  Cl  Cl4  4  0.2448  0.7273  0.0830  1
  Cl  Cl5  4  0.3468  0.1673  0.0443  1
]