data_[Cs4Zn4Hg2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  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 [18.6862]
_cell_length_b [4.4217]
_cell_length_c [8.6197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Zn2HgTe4]
_chemical_formula_sum '[Cs4 Zn4 Hg2 Te8]'
_cell_volume [673.5189]
_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  0.1249  0.0000  0.5297  1.0
  Zn  Zn1  4  0.1760  0.5000  0.9842  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0309  0.5000  0.7932  1.0
  Te  Te4  4  0.2166  0.0000  0.1766  1.0
]