data_[Hg8Te4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.1062]
_cell_length_b [7.8272]
_cell_length_c [9.4661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg2TeCl2]
_chemical_formula_sum '[Hg8 Te4 Cl8]'
_cell_volume [734.7416]
_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
[
  Hg  Hg0  4  0.1679  0.1019  0.5968  1.0
  Hg  Hg1  4  0.4860  0.1245  0.3092  1.0
  Te  Te2  4  0.3559  0.0714  0.8371  1.0
  Cl  Cl3  4  0.0020  0.2066  0.3988  1.0
  Cl  Cl4  4  0.3267  0.6032  0.9241  1.0
]