data_[Li12Hg12Pb4]
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 [9.1991]
_cell_length_b [9.4776]
_cell_length_c [6.6977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li3Hg3Pb]
_chemical_formula_sum '[Li12 Hg12 Pb4]'
_cell_volume [583.9436]
_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  8  0.2500  0.2500  0.2422  1
  Li  Li1  4  0.0000  0.0000  0.2374  1
  Hg  Hg2  4  0.0000  0.2319  0.5000  1
  Hg  Hg3  4  0.0000  0.2607  0.0000  1
  Hg  Hg4  4  0.2368  0.5000  0.0000  1
  Pb  Pb5  4  0.2127  0.5000  0.5000  1
]