data_[Cs2Tl8Hg2]
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 [Pmma]
_cell_length_a [8.8835]
_cell_length_b [5.2456]
_cell_length_c [9.4884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CsTl4Hg]
_chemical_formula_sum '[Cs2 Tl8 Hg2]'
_cell_volume [442.1503]
_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  0.2500  0.0000  0.3855  1.0
  Tl  Tl1  4  0.0601  0.5000  0.7199  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  2  0.2500  0.5000  0.0524  1.0
  Hg  Hg4  2  0.2500  0.0000  0.7748  1.0
]