data_[Ag2Hg2I2]
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 [Pm]
_cell_length_a [6.6445]
_cell_length_b [4.6457]
_cell_length_c [7.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AgHgI]
_chemical_formula_sum '[Ag2 Hg2 I2]'
_cell_volume [225.0772]
_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  1  0.0156  0.0000  0.3627  1.0
  Ag  Ag1  1  0.9875  0.5000  0.8513  1.0
  Hg  Hg2  1  0.4178  0.0000  0.2713  1.0
  Hg  Hg3  1  0.5785  0.5000  0.5876  1.0
  I  I4  1  0.1694  0.0000  0.7454  1.0
  I  I5  1  0.8430  0.5000  0.1647  1.0
]