data_[Tl16Cd4Hg4]
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/c]
_cell_length_a [9.2042]
_cell_length_b [13.8351]
_cell_length_c [6.0919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl4CdHg]
_chemical_formula_sum '[Tl16 Cd4 Hg4]'
_cell_volume [734.4283]
_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  0.1212  0.1932  0.0891  1.0
  Tl  Tl1  8  0.1961  0.4132  0.3707  1.0
  Cd  Cd2  4  0.0000  0.0147  0.7500  1.0
  Hg  Hg3  4  0.0000  0.3831  0.7500  1.0
]