data_Li3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87
_cell_length_b   9.87
_cell_length_c   9.87
_cell_angle_alpha   18.95
_cell_angle_beta   18.95
_cell_angle_gamma   18.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Sn
_chemical_formula_sum   'Li3 Sn1'
_cell_volume   88.63
_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  0.12  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.0  0.0  0.95  1.0
  Sn  Sn3  1  0.0  0.0  0.54  1.0

data_Li3Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   3.25
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li3Sn
_chemical_formula_sum   'Li6 Sn2'
_cell_volume   177.27
_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
  Li  Li1  2  0.0  0.0  0.05  1.0
  Li  Li2  2  0.0  0.0  0.88  1.0
  Sn  Sn3  2  0.0  0.0  0.46  1.0

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