data_[Cs6Tl4Hg18]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6084]
_cell_length_b [10.7954]
_cell_length_c [16.3938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs3Tl2Hg9]
_chemical_formula_sum '[Cs6 Tl4 Hg18]'
_cell_volume [992.5572]
_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  4  0.0000  0.0000  0.2821  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.1674  0.5000  1
  Hg  Hg3  8  0.0000  0.2965  0.1402  1
  Hg  Hg4  8  0.0000  0.3484  0.3404  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
]