data_[Li6In6Hg16]
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 [13.6488]
_cell_length_b [8.0908]
_cell_length_c [6.6350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3In3Hg8]
_chemical_formula_sum '[Li6 In6 Hg16]'
_cell_volume [720.6352]
_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  0.0000  0.3143  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  In  In2  4  0.1123  0.0000  0.9741  1
  In  In3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  8  0.1373  0.2223  0.3668  1
  Hg  Hg5  8  0.1702  0.3189  0.8186  1
]