data_[Tl4Cd4In16Hg8]
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 [6.5976]
_cell_length_b [10.9751]
_cell_length_c [12.3401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [TlCd(In2Hg)2]
_chemical_formula_sum '[Tl4 Cd4 In16 Hg8]'
_cell_volume [893.5423]
_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
  Cd  Cd1  4  0.2500  0.2500  0.2500  1
  In  In2  8  0.0000  0.0013  0.2601  1
  In  In3  8  0.2422  0.7500  0.4984  1
  Hg  Hg4  4  0.0000  0.0000  0.5000  1
  Hg  Hg5  4  0.2500  0.2500  0.7500  1
]