data_[Li2In2Hg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1254]
_cell_length_b [9.1217]
_cell_length_c [10.9606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiInHgI4]
_chemical_formula_sum '[Li2 In2 Hg2 I8]'
_cell_volume [689.3284]
_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  0.3355  0.2500  0.7060  1.0
  In  In1  2  0.1618  0.7500  0.2887  1.0
  Hg  Hg2  2  0.2965  0.2500  0.1127  1.0
  I  I3  4  0.0839  0.0150  0.7155  1.0
  I  I4  2  0.3350  0.7500  0.0901  1.0
  I  I5  2  0.4798  0.7500  0.4941  1.0
]