data_[Li4In16Hg2]
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 [13.2391]
_cell_length_b [7.4340]
_cell_length_c [5.9001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2In8Hg]
_chemical_formula_sum '[Li4 In16 Hg2]'
_cell_volume [563.2770]
_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  0.2179  0.0000  0.2735  1
  In  In1  8  0.1013  0.2885  0.3948  1
  In  In2  4  0.0986  0.5000  0.8904  1
  In  In3  4  0.1848  0.0000  0.7657  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
]