data_[Li2In4Hg16]
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 [16.8365]
_cell_length_b [5.4027]
_cell_length_c [6.2912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(InHg4)2]
_chemical_formula_sum '[Li2 In4 Hg16]'
_cell_volume [571.9087]
_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  0.0000  1.0
  In  In1  4  0.1489  0.0000  0.7982  1.0
  Hg  Hg2  4  0.0379  0.0000  0.2481  1.0
  Hg  Hg3  4  0.0868  0.5000  0.5628  1.0
  Hg  Hg4  4  0.1624  0.5000  0.1044  1.0
  Hg  Hg5  4  0.2282  0.0000  0.3356  1.0
]