data_[Hg12Te8Cl8]
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 [I2_13]
_cell_length_a [9.6567]
_cell_length_b [9.6567]
_cell_length_c [9.6567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Hg3(TeCl)2]
_chemical_formula_sum '[Hg12 Te8 Cl8]'
_cell_volume [900.4940]
_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  12  0.0000  0.2500  0.3173  1.0
  Te  Te1  8  0.2213  0.2787  0.7213  1.0
  Cl  Cl2  8  0.0094  0.0094  0.0094  1.0
]