data_[Cs8Tl4Hg8]
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 [C2/c]
_cell_length_a [13.1888]
_cell_length_b [7.6226]
_cell_length_c [9.3573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2TlHg2]
_chemical_formula_sum '[Cs8 Tl4 Hg8]'
_cell_volume [919.5054]
_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
[
  Cs  Cs0  8  0.1502  0.3725  0.6410  1.0
  Tl  Tl1  4  0.0000  0.0963  0.2500  1.0
  Hg  Hg2  8  0.1303  0.1441  0.0036  1.0
]