data_[Li12Hg4Pb4]
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 [C2/m]
_cell_length_a [14.0546]
_cell_length_b [4.9320]
_cell_length_c [5.8795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3HgPb]
_chemical_formula_sum '[Li12 Hg4 Pb4]'
_cell_volume [402.4451]
_cell_formula_units_Z [4]
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  0.0003  0.0000  0.7431  1.0
  Li  Li1  4  0.0952  0.5000  0.1529  1.0
  Li  Li2  4  0.2066  0.0000  0.5616  1.0
  Hg  Hg3  4  0.1750  0.0000  0.0685  1.0
  Pb  Pb4  4  0.1058  0.5000  0.6541  1.0
]