data_[Li36Ag18Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0650]
_cell_length_b [10.0650]
_cell_length_c [12.1382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Ag6Pb]
_chemical_formula_sum '[Li36 Ag18 Pb3]'
_cell_volume [1064.9113]
_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  18  0.0315  0.1899  0.8123  1.0
  Li  Li1  18  0.0578  0.8389  0.4140  1.0
  Ag  Ag2  18  0.0081  0.4236  0.7037  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0000  1.0
]