data_[Ag4Hg4I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.5742]
_cell_length_b [4.5702]
_cell_length_c [9.2821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AgHgI2]
_chemical_formula_sum '[Ag4 Hg4 I8]'
_cell_volume [687.3352]
_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  2  0.1123  0.5000  0.5217  1.0
  Ag  Ag1  2  0.1256  0.0000  0.3061  1.0
  Hg  Hg2  2  0.1612  0.5000  0.9649  1.0
  Hg  Hg3  2  0.3897  0.0000  0.1080  1.0
  I  I4  2  0.0078  0.0000  0.4796  1.0
  I  I5  2  0.0506  0.0000  0.9754  1.0
  I  I6  2  0.2324  0.5000  0.2846  1.0
  I  I7  2  0.2541  0.5000  0.7533  1.0
]