data_[Li22Hg18Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.2048]
_cell_length_b [20.1584]
_cell_length_c [3.2361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li11Hg9Pb4]
_chemical_formula_sum '[Li22 Hg18 Pb8]'
_cell_volume [991.8690]
_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  0.2187  0.1814  0.0000  1
  Li  Li1  4  0.0000  0.1811  0.0000  1
  Li  Li2  4  0.0000  0.3627  0.0000  1
  Li  Li3  4  0.2010  0.0000  0.0000  1
  Li  Li4  2  0.0000  0.0000  0.0000  1
  Hg  Hg5  8  0.1055  0.0936  0.5000  1
  Hg  Hg6  8  0.1095  0.2641  0.5000  1
  Hg  Hg7  2  0.0000  0.5000  0.5000  1
  Pb  Pb8  8  0.1699  0.4145  0.5000  1
]