data_[Ag2Hg2I4]
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 [P1]
_cell_length_a [4.5307]
_cell_length_b [7.0856]
_cell_length_c [10.0983]
_cell_angle_alpha [102.5633]
_cell_angle_beta [94.3248]
_cell_angle_gamma [92.6054]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AgHgI2]
_chemical_formula_sum '[Ag2 Hg2 I4]'
_cell_volume [314.8813]
_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  0.6903  0.3448  0.4288  1.0
  Ag  Ag1  1  0.8553  0.9658  0.2407  1.0
  Hg  Hg2  1  0.1737  0.5306  0.7959  1.0
  Hg  Hg3  1  0.3295  0.3583  0.9995  1.0
  I  I4  1  0.1920  0.1299  0.4912  1.0
  I  I5  1  0.3451  0.9780  0.0587  1.0
  I  I6  1  0.7070  0.6911  0.6603  1.0
  I  I7  1  0.8210  0.5361  0.2159  1.0
]