data_[Tl1Ag1Hg2Cl8]
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 [P-1]
_cell_length_a [6.4973]
_cell_length_b [7.0533]
_cell_length_c [7.9631]
_cell_angle_alpha [94.1887]
_cell_angle_beta [99.9206]
_cell_angle_gamma [90.7448]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAg(HgCl4)2]
_chemical_formula_sum '[Tl1 Ag1 Hg2 Cl8]'
_cell_volume [358.3931]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4907  0.4836  0.7534  1.0
  Cl  Cl3  2  0.2113  0.8612  0.2682  1.0
  Cl  Cl4  2  0.2396  0.8686  0.7454  1.0
  Cl  Cl5  2  0.2505  0.3542  0.5117  1.0
  Cl  Cl6  2  0.2623  0.3630  0.0233  1.0
]