data_[Li2In4Hg4I12]
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 [C2/m]
_cell_length_a [13.8909]
_cell_length_b [8.3440]
_cell_length_c [9.5482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiIn2(HgI3)2]
_chemical_formula_sum '[Li2 In4 Hg4 I12]'
_cell_volume [883.8726]
_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  0.5000  0.5000  1.0
  In  In1  4  0.1180  0.0000  0.8016  1.0
  Hg  Hg2  4  0.2234  0.5000  0.2915  1.0
  I  I3  8  0.0550  0.2625  0.3309  1.0
  I  I4  4  0.2277  0.0000  0.1624  1.0
]