data_[Tl20Cd4In4Hg8]
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 [4.8654]
_cell_length_b [20.9541]
_cell_length_c [10.7004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl5CdInHg2]
_chemical_formula_sum '[Tl20 Cd4 In4 Hg8]'
_cell_volume [1090.8909]
_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  0.0143  0.4841  1.0
  Tl  Tl1  4  0.0000  0.2686  0.6225  1.0
  Tl  Tl2  4  0.0000  0.2807  0.3109  1.0
  Tl  Tl3  4  0.0000  0.3379  0.9599  1.0
  Tl  Tl4  4  0.0000  0.4640  0.2843  1.0
  Cd  Cd5  4  0.0000  0.1587  0.9719  1.0
  In  In6  4  0.0000  0.4231  0.5887  1.0
  Hg  Hg7  4  0.0000  0.1177  0.2616  1.0
  Hg  Hg8  4  0.0000  0.1193  0.6920  1.0
]