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 [7.7195]
_cell_length_b [7.5480]
_cell_length_c [9.5028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTlHgCl4]
_chemical_formula_sum '[Cs2 Tl2 Hg2 Cl8]'
_cell_volume [526.3319]
_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  0.7500  0.0555  1.0
  Tl  Tl1  2  0.2091  0.7500  0.5464  1.0
  Hg  Hg2  2  0.2472  0.2500  0.3219  1.0
  Cl  Cl3  4  0.0135  0.5038  0.2656  1.0
  Cl  Cl4  2  0.4203  0.2500  0.1360  1.0
  Cl  Cl5  2  0.4521  0.2500  0.5838  1.0
]