data_[Li12Sn8Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.8049]
_cell_length_b [6.8049]
_cell_length_c [11.4431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Li6Sn4Pb]
_chemical_formula_sum '[Li12 Sn8 Pb2]'
_cell_volume [529.8955]
_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  8  0.2464  0.2464  0.3301  1
  Li  Li1  4  0.0000  0.5000  0.0000  1
  Sn  Sn2  8  0.1671  0.8329  0.4060  1
  Pb  Pb3  2  0.0000  0.0000  0.0000  1
]