data_[Li16Ga2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5132]
_cell_length_b [7.2075]
_cell_length_c [11.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li8GaHg2]
_chemical_formula_sum '[Li16 Ga2 Hg4]'
_cell_volume [389.7202]
_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  8  0.0000  0.2064  0.3578  1
  Li  Li1  4  0.0000  0.0000  0.1401  1
  Li  Li2  4  0.0000  0.2998  0.0000  1
  Ga  Ga3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  4  0.0000  0.5000  0.2076  1
]