data_[Cs8Tl8Hg4]
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/m]
_cell_length_a [8.8150]
_cell_length_b [12.9225]
_cell_length_c [9.2007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl2Hg]
_chemical_formula_sum '[Cs8 Tl8 Hg4]'
_cell_volume [982.8841]
_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  0.0645  0.3304  0.7492  1.0
  Tl  Tl1  4  0.1657  0.0000  0.4614  1.0
  Tl  Tl2  4  0.1753  0.0000  0.8017  1.0
  Hg  Hg3  4  0.0000  0.1210  0.0000  1.0
]