data_[Ag4Hg8I4]
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 [14.7418]
_cell_length_b [4.6619]
_cell_length_c [8.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AgHg2I]
_chemical_formula_sum '[Ag4 Hg8 I4]'
_cell_volume [561.3958]
_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  0.0085  0.0000  0.7298  1.0
  Ag  Ag1  2  0.4403  0.0000  0.2271  1.0
  Hg  Hg2  2  0.2172  0.0000  0.8235  1.0
  Hg  Hg3  2  0.2672  0.0000  0.3437  1.0
  Hg  Hg4  2  0.3036  0.5000  0.6252  1.0
  Hg  Hg5  2  0.3144  0.5000  0.0570  1.0
  I  I6  2  0.0142  0.5000  0.9269  1.0
  I  I7  2  0.0321  0.0000  0.4020  1.0
]