data_[Tl4Co4Hg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0264]
_cell_length_b [12.1116]
_cell_length_c [9.3032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCoHgCl5]
_chemical_formula_sum '[Tl4 Co4 Hg4 Cl20]'
_cell_volume [942.3162]
_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  0.3558  0.7500  1.0
  Co  Co1  4  0.0000  0.3130  0.2500  1.0
  Hg  Hg2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1184  0.2079  0.1230  1.0
  Cl  Cl4  8  0.1718  0.4229  0.4340  1.0
  Cl  Cl5  4  0.0000  0.0855  0.7500  1.0
]