data_[Tl4Cd8Hg10]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4238]
_cell_length_b [6.6922]
_cell_length_c [9.0727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cd4Hg5]
_chemical_formula_sum '[Tl4 Cd8 Hg10]'
_cell_volume [605.3054]
_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  0.0551  0.0000  0.7280  1.0
  Cd  Cd1  4  0.1260  0.5000  0.8833  1.0
  Cd  Cd2  4  0.2247  0.5000  0.4700  1.0
  Hg  Hg3  8  0.1575  0.2292  0.1615  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5000  1.0
]