data_[Li21Ag36Pb3]
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 [10.3408]
_cell_length_b [10.3408]
_cell_length_c [12.3822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li7Ag12Pb]
_chemical_formula_sum '[Li21 Ag36 Pb3]'
_cell_volume [1146.6686]
_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  0.0170  0.8222  0.8067  1.0
  Li  Li1  3  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  18  0.0117  0.5703  0.6959  1.0
  Ag  Ag3  18  0.0737  0.2511  0.4197  1.0
  Pb  Pb4  3  0.0000  0.0000  0.0000  1.0
]