data_[Cs4Ba2Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4774]
_cell_length_b [4.8636]
_cell_length_c [9.1646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ba(HgTe2)2]
_chemical_formula_sum '[Cs4 Ba2 Hg4 Te8]'
_cell_volume [778.3277]
_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  0.1306  0.0000  0.5591  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1638  0.5000  0.9768  1.0
  Te  Te3  4  0.0208  0.5000  0.7430  1.0
  Te  Te4  4  0.2073  0.0000  0.1709  1.0
]