data_[U2Tl1Hg1Cl8]
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
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.8071]
_cell_length_b [7.8071]
_cell_length_c [7.4793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [U2TlHgCl8]
_chemical_formula_sum '[U2 Tl1 Hg1 Cl8]'
_cell_volume [394.7921]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.9259  1
  Tl  Tl1  1  0.0000  0.0000  0.5000  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  6  0.0503  0.4079  0.1696  1
  Cl  Cl4  2  0.3333  0.6667  0.5817  1
]