data_[Tl16Sn6Hg4]
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 [18.4648]
_cell_length_b [8.0228]
_cell_length_c [5.5634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8Sn3Hg2]
_chemical_formula_sum '[Tl16 Sn6 Hg4]'
_cell_volume [823.5192]
_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  8  0.1524  0.2830  0.7489  1.0
  Tl  Tl1  4  0.0599  0.5000  0.2909  1.0
  Tl  Tl2  4  0.1576  0.0000  0.2436  1.0
  Sn  Sn3  4  0.0000  0.1895  0.0000  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  4  0.2267  0.5000  0.2333  1.0
]