data_[Ag2Hg4I2]
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 [P-1]
_cell_length_a [4.7285]
_cell_length_b [7.5998]
_cell_length_c [7.7066]
_cell_angle_alpha [83.3605]
_cell_angle_beta [81.6419]
_cell_angle_gamma [88.3778]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgHg2I]
_chemical_formula_sum '[Ag2 Hg4 I2]'
_cell_volume [272.1454]
_cell_formula_units_Z [2]
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  0.3287  0.6406  0.4012  1.0
  Hg  Hg1  2  0.2195  0.8964  0.1000  1.0
  Hg  Hg2  2  0.2559  0.4052  0.9124  1.0
  I  I3  2  0.2201  0.2524  0.4160  1.0
]