data_[Li2Al2Hg4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.5203]
_cell_length_b [8.5203]
_cell_length_c [10.0761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LiAl(HgI2)2]
_chemical_formula_sum '[Li2 Al2 Hg4 I8]'
_cell_volume [731.4836]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  2  0.0000  0.5000  0.7500  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.2500  1.0
  I  I4  8  0.1261  0.2798  0.8869  1.0
]