data_[Li16Hg2Pb4]
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 [Immm]
_cell_length_a [4.8178]
_cell_length_b [6.3745]
_cell_length_c [14.2171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li8HgPb2]
_chemical_formula_sum '[Li16 Hg2 Pb4]'
_cell_volume [436.6224]
_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  0.2341  0.3458  1.0
  Li  Li1  4  0.0000  0.0000  0.1756  1.0
  Li  Li2  4  0.0000  0.2677  0.0000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb4  4  0.0000  0.5000  0.1799  1.0
]