data_[Li2In6Hg10]
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 [P6_3/mcm]
_cell_length_a [8.9559]
_cell_length_b [8.9559]
_cell_length_c [6.5290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [LiIn3Hg5]
_chemical_formula_sum '[Li2 In6 Hg10]'
_cell_volume [453.5260]
_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  0.0000  0.0000  1
  In  In1  6  0.0000  0.3795  0.7500  1
  Hg  Hg2  6  0.0000  0.2728  0.2500  1
  Hg  Hg3  4  0.3333  0.6667  0.0000  1
]