data_[Tl4Hg4Cl10]
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 [C2/m]
_cell_length_a [14.8725]
_cell_length_b [5.4964]
_cell_length_c [7.9069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Hg2Cl5]
_chemical_formula_sum '[Tl4 Hg4 Cl10]'
_cell_volume [579.5728]
_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  0.1135  0.5000  0.2978  1.0
  Hg  Hg1  4  0.1310  0.0000  0.8514  1.0
  Cl  Cl2  4  0.1432  0.5000  0.8936  1.0
  Cl  Cl3  4  0.1522  0.0000  0.5378  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]