data_[Tl2Hg4Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9235]
_cell_length_b [4.6587]
_cell_length_c [7.5551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlHg2Cl]
_chemical_formula_sum '[Tl2 Hg4 Cl2]'
_cell_volume [297.7370]
_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  2  0.4828  0.0000  0.4584  1.0
  Hg  Hg1  2  0.2527  0.0000  0.7610  1.0
  Hg  Hg2  2  0.4978  0.5000  0.9818  1.0
  Cl  Cl3  2  0.2666  0.5000  0.2989  1.0
]