data_[Li2In2Hg1I6]
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 [P-1]
_cell_length_a [7.3724]
_cell_length_b [7.5311]
_cell_length_c [10.0508]
_cell_angle_alpha [100.2333]
_cell_angle_beta [93.0407]
_cell_angle_gamma [111.4393]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2In2HgI6]
_chemical_formula_sum '[Li2 In2 Hg1 I6]'
_cell_volume [506.9088]
_cell_formula_units_Z [1]
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  0.0964  0.4485  0.6921  1.0
  In  In1  2  0.3042  0.1184  0.3170  1.0
  Hg  Hg2  1  0.5000  0.0000  0.5000  1.0
  I  I3  2  0.0130  0.7583  0.5927  1.0
  I  I4  2  0.0745  0.7766  0.1194  1.0
  I  I5  2  0.4881  0.5662  0.8019  1.0
]