data_[Tl13Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8298]
_cell_length_b [8.6906]
_cell_length_c [8.7073]
_cell_angle_alpha [67.6514]
_cell_angle_beta [79.5298]
_cell_angle_gamma [79.6888]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl13Hg2]
_chemical_formula_sum '[Tl13 Hg2]'
_cell_volume [466.6004]
_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
[
  Tl  Tl0  2  0.0975  0.7597  0.4298  1.0
  Tl  Tl1  2  0.1992  0.1901  0.2109  1.0
  Tl  Tl2  2  0.2807  0.6145  0.9747  1.0
  Tl  Tl3  2  0.2998  0.9632  0.6394  1.0
  Tl  Tl4  2  0.4033  0.3958  0.4024  1.0
  Tl  Tl5  2  0.4897  0.1789  0.8388  1.0
  Tl  Tl6  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg7  2  0.1050  0.4320  0.7580  1.0
]