data_LiSn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   5.31
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Pb
_chemical_formula_sum   'Li1 Sn2 Pb1'
_cell_volume   105.83
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.85  0.66  0.54  1.0
  Sn  Sn3  1  0.39  0.66  0.4  1.0
  Pb  Pb1  1  0.12  0.0  0.97  1.0

data_LiSn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.31
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Pb
_chemical_formula_sum   'Li1 Sn2 Pb1'
_cell_volume   105.83
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.39  0.66  0.4  1.0
  Sn  Sn2  1  0.85  0.66  0.54  1.0
  Pb  Pb3  1  0.12  0.0  0.97  1.0

Li Sn Sn Pb
Li Sn Sn Pb 0 3 o o - 1 2 o o o 