data_[Li3Hg21Pb36]
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 [R-3]
_cell_length_a [19.1473]
_cell_length_b [19.1473]
_cell_length_c [5.6236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LiHg7Pb12]
_chemical_formula_sum '[Li3 Hg21 Pb36]'
_cell_volume [1785.5113]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Hg  Hg1  18  0.0310  0.1508  0.8413  1
  Hg  Hg2  3  0.0000  0.0000  0.5000  1
  Pb  Pb3  18  0.0186  0.5938  0.4813  1
  Pb  Pb4  18  0.0920  0.5199  0.0278  1
]