data_LiSn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.6
_cell_length_b   10.6
_cell_length_c   10.6
_cell_angle_alpha   18.54
_cell_angle_beta   18.54
_cell_angle_gamma   18.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Pb
_chemical_formula_sum   'Li1 Sn2 Pb1'
_cell_volume   105.14
_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  0.0  0.0  0.1  1.0
  Sn  Sn3  1  0.0  0.0  0.13  1.0
  Pb  Pb1  1  0.0  0.0  0.62  1.0

data_LiSn2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   3.41
_cell_length_c   10.6
_cell_angle_alpha   90.0
_cell_angle_beta   100.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiSn2Pb
_chemical_formula_sum   'Li2 Sn4 Pb2'
_cell_volume   210.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.87  1.0
  Sn  Sn2  2  0.0  0.0  0.9  1.0
  Pb  Pb3  2  0.0  0.0  0.38  1.0

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