data_[Tl20Cd4In8Hg4]
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 [3.5603]
_cell_length_b [17.9390]
_cell_length_c [16.6579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl5CdIn2Hg]
_chemical_formula_sum '[Tl20 Cd4 In8 Hg4]'
_cell_volume [1063.9172]
_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  0.0088  0.1190  1.0
  Tl  Tl1  4  0.0000  0.2347  0.3909  1.0
  Tl  Tl2  4  0.0000  0.3291  0.7213  1.0
  Tl  Tl3  4  0.0000  0.3674  0.2427  1.0
  Tl  Tl4  4  0.0000  0.4141  0.9684  1.0
  Cd  Cd5  4  0.0000  0.1750  0.0462  1.0
  In  In6  4  0.0000  0.0236  0.3122  1.0
  In  In7  4  0.0000  0.1893  0.5901  1.0
  Hg  Hg8  4  0.0000  0.4128  0.4330  1.0
]