data_[Li16Sb4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1268]
_cell_length_b [4.6765]
_cell_length_c [7.6032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Sb2Pb]
_chemical_formula_sum '[Li16 Sb4 Pb2]'
_cell_volume [426.7542]
_cell_formula_units_Z [2]
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  0.0135  0.0000  0.3061  1.0
  Li  Li1  4  0.1432  0.5000  0.8421  1.0
  Li  Li2  4  0.1533  0.0000  0.1068  1.0
  Li  Li3  4  0.1677  0.5000  0.4643  1.0
  Sb  Sb4  4  0.1998  0.0000  0.7136  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]