data_[Tl6Sn4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6812]
_cell_length_b [4.7018]
_cell_length_c [9.5830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3(SnHg2)2]
_chemical_formula_sum '[Tl6 Sn4 Hg8]'
_cell_volume [548.0865]
_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
[
  Tl  Tl0  4  0.1347  0.5000  0.7026  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1965  0.5000  0.3805  1.0
  Hg  Hg3  4  0.0406  0.0000  0.3628  1.0
  Hg  Hg4  4  0.1876  0.5000  0.0545  1.0
]