data_[Tl4Cd20Hg4]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1170]
_cell_length_b [12.2461]
_cell_length_c [7.4431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCd5Hg]
_chemical_formula_sum '[Tl4 Cd20 Hg4]'
_cell_volume [729.1934]
_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  0.3089  0.7500  1
  Cd  Cd1  8  0.0598  0.1278  0.0906  1
  Cd  Cd2  8  0.2275  0.0621  0.8564  1
  Cd  Cd3  4  0.0000  0.4269  0.2500  1
  Hg  Hg4  4  0.2500  0.2500  0.5000  1
]