data_[Li6Sn6Pb6]
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 [Pmma]
_cell_length_a [12.3774]
_cell_length_b [4.8248]
_cell_length_c [8.1570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LiSnPb]
_chemical_formula_sum '[Li6 Sn6 Pb6]'
_cell_volume [487.1237]
_cell_formula_units_Z [6]
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  0.1254  0.5000  0.2946  1.0
  Li  Li1  2  0.2500  0.5000  0.6276  1.0
  Sn  Sn2  4  0.1025  0.5000  0.9129  1.0
  Sn  Sn3  2  0.2500  0.0000  0.4333  1.0
  Pb  Pb4  4  0.0569  0.0000  0.6794  1.0
  Pb  Pb5  2  0.2500  0.0000  0.0499  1.0
]