data_[Ag4Hg4I14]
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 [C2/m]
_cell_length_a [7.7997]
_cell_length_b [13.3237]
_cell_length_c [10.0537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag2Hg2I7]
_chemical_formula_sum '[Ag4 Hg4 I14]'
_cell_volume [1005.5693]
_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  4  0.0000  0.3340  0.0000  1.0
  Hg  Hg1  4  0.0882  0.0000  0.2216  1.0
  I  I2  8  0.2331  0.1849  0.1924  1.0
  I  I3  4  0.1918  0.5000  0.1707  1.0
  I  I4  2  0.0000  0.0000  0.5000  1.0
]