data_[Tl4Cd4In4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0765]
_cell_length_b [6.4134]
_cell_length_c [10.8208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCdInHg4]
_chemical_formula_sum '[Tl4 Cd4 In4 Hg16]'
_cell_volume [767.0846]
_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  4  0.0520  0.0000  0.6546  1
  Cd  Cd1  4  0.0077  0.5000  0.3635  1
  In  In2  4  0.1358  0.0000  0.9546  1
  Hg  Hg3  8  0.1778  0.2517  0.2094  1
  Hg  Hg4  4  0.0952  0.5000  0.9032  1
  Hg  Hg5  4  0.2436  0.5000  0.5374  1
]