data_[Ag8Hg4Te4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [14.5888]
_cell_length_b [7.9493]
_cell_length_c [7.6320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ag2HgTeI2]
_chemical_formula_sum '[Ag8 Hg4 Te4 I8]'
_cell_volume [885.0880]
_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
[
  Ag  Ag0  8  0.1709  0.3482  0.7950  1.0
  Hg  Hg1  4  0.0000  0.0649  0.3603  1.0
  Te  Te2  4  0.0000  0.2282  0.6754  1.0
  I  I3  8  0.1638  0.3052  0.1738  1.0
]