data_[Li6In4Hg12]
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 [I4/mmm]
_cell_length_a [4.5546]
_cell_length_b [4.5546]
_cell_length_c [25.8393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Li3(InHg3)2]
_chemical_formula_sum '[Li6 In4 Hg12]'
_cell_volume [536.0269]
_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  0.0000  0.1244  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0000  0.0000  0.3415  1.0
  Hg  Hg3  8  0.0000  0.5000  0.0621  1.0
  Hg  Hg4  4  0.0000  0.0000  0.2245  1.0
]