data_[Tl8Cd4In4Hg20]
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 [Cmc2_1]
_cell_length_a [3.5202]
_cell_length_b [17.4526]
_cell_length_c [16.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2CdInHg5]
_chemical_formula_sum '[Tl8 Cd4 In4 Hg20]'
_cell_volume [1025.1109]
_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  0.1118  0.7162  1.0
  Tl  Tl1  4  0.0000  0.1247  0.3566  1.0
  Cd  Cd2  4  0.0000  0.4693  0.3787  1.0
  In  In3  4  0.0000  0.2447  0.0385  1.0
  Hg  Hg4  4  0.0000  0.0722  0.0317  1.0
  Hg  Hg5  4  0.0000  0.2869  0.7002  1.0
  Hg  Hg6  4  0.0000  0.2994  0.3762  1.0
  Hg  Hg7  4  0.0000  0.4155  0.0347  1.0
  Hg  Hg8  4  0.0000  0.4573  0.6911  1.0
]