data_[Cs6Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [15.4905]
_cell_length_b [4.6886]
_cell_length_c [11.6359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3(HgTe2)2]
_chemical_formula_sum '[Cs6 Hg4 Te8]'
_cell_volume [813.8962]
_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  0.1385  0.5000  0.6647  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1347  0.5000  0.2719  1.0
  Te  Te3  4  0.0801  0.0000  0.3748  1.0
  Te  Te4  4  0.2140  0.5000  0.0850  1.0
]