data_[Li8Ag4Hg4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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/c]
_cell_length_a [15.7932]
_cell_length_b [18.4888]
_cell_length_c [6.6282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2AgHgI6]
_chemical_formula_sum '[Li8 Ag4 Hg4 I24]'
_cell_volume [1796.9018]
_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
[
  Li  Li0  8  0.2098  0.3947  0.7919  1
  Ag  Ag1  4  0.0000  0.1924  0.2500  1
  Hg  Hg2  4  0.0000  0.1829  0.7500  1
  I  I3  8  0.1050  0.0903  0.1013  1
  I  I4  8  0.1317  0.2602  0.6266  1
  I  I5  8  0.1364  0.4981  0.9819  1
]