data_[Li4In6Hg8]
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 [C2/m]
_cell_length_a [12.8926]
_cell_length_b [4.7750]
_cell_length_c [8.9813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2In3Hg4]
_chemical_formula_sum '[Li4 In6 Hg8]'
_cell_volume [423.3997]
_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  4  0.1404  0.5000  0.3021  1.0
  In  In1  4  0.1668  0.5000  0.6758  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.0671  0.0000  0.3942  1.0
  Hg  Hg4  4  0.1632  0.5000  0.0046  1.0
]