data_[Cs8Hg4Te8]
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 [15.9551]
_cell_length_b [7.7110]
_cell_length_c [11.4623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2HgTe2]
_chemical_formula_sum '[Cs8 Hg4 Te8]'
_cell_volume [1115.1923]
_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  4  0.1019  0.0000  0.8354  1.0
  Cs  Cs1  4  0.1628  0.5000  0.5506  1.0
  Hg  Hg2  4  0.1344  0.5000  0.1790  1.0
  Te  Te3  4  0.0688  0.5000  0.8811  1.0
  Te  Te4  4  0.1621  0.0000  0.5687  1.0
]