data_[Tl8Ag4Hg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2304]
_cell_length_b [18.4844]
_cell_length_c [13.5291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2AgHgCl5]
_chemical_formula_sum '[Tl8 Ag4 Hg4 Cl20]'
_cell_volume [1057.9232]
_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  0.1075  0.6855  1.0
  Tl  Tl1  4  0.0000  0.1333  0.3065  1.0
  Ag  Ag2  4  0.0000  0.4548  0.4421  1.0
  Hg  Hg3  4  0.0000  0.2144  0.0202  1.0
  Cl  Cl4  4  0.0000  0.0699  0.0475  1.0
  Cl  Cl5  4  0.0000  0.2806  0.6578  1.0
  Cl  Cl6  4  0.0000  0.3051  0.3865  1.0
  Cl  Cl7  4  0.0000  0.3548  0.0052  1.0
  Cl  Cl8  4  0.0000  0.4928  0.7725  1.0
]