data_[Tl20Hg8]
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 [C2/c]
_cell_length_a [15.9021]
_cell_length_b [6.2942]
_cell_length_c [8.5582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl5Hg2]
_chemical_formula_sum '[Tl20 Hg8]'
_cell_volume [853.8444]
_cell_formula_units_Z [4]
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  0.1375  0.1711  0.9590  1.0
  Tl  Tl1  8  0.2147  0.3414  0.3225  1.0
  Tl  Tl2  4  0.0000  0.2013  0.2500  1.0
  Hg  Hg3  8  0.0717  0.3182  0.6090  1.0
]