data_[Cs2Tl2Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7053]
_cell_length_b [7.5342]
_cell_length_c [9.4918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTlHgCl4]
_chemical_formula_sum '[Cs2 Tl2 Hg2 Cl8]'
_cell_volume [523.8109]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.2590  0.2500  0.0555  1
  Tl  Tl1  2  0.2089  0.2500  0.5464  1
  Hg  Hg2  2  0.2473  0.7500  0.3219  1
  Cl  Cl3  4  0.0131  0.0040  0.2654  1
  Cl  Cl4  2  0.4206  0.7500  0.1357  1
  Cl  Cl5  2  0.4523  0.7500  0.5842  1
]