data_[Li10In2Hg16]
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
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.3822]
_cell_length_b [8.3822]
_cell_length_c [8.6893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Li5InHg8]
_chemical_formula_sum '[Li10 In2 Hg16]'
_cell_volume [610.5236]
_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  8  0.1286  0.7808  0.9082  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.5000  0.2500  1.0
  Hg  Hg3  8  0.0684  0.6748  0.5752  1.0
  Hg  Hg4  8  0.0995  0.8420  0.2298  1.0
]