data_[Tl8Cd4In4Hg16]
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 [Imma]
_cell_length_a [6.6144]
_cell_length_b [11.1768]
_cell_length_c [12.6704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tl2CdInHg4]
_chemical_formula_sum '[Tl8 Cd4 In4 Hg16]'
_cell_volume [936.6964]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2500  0.2500  0.2500  1.0
  Cd  Cd2  4  0.2500  0.2500  0.7500  1.0
  In  In3  4  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  8  0.0000  0.0106  0.7449  1.0
  Hg  Hg5  8  0.2419  0.2500  0.5059  1.0
]