data_LiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   5.72
_cell_length_c   2.58
_cell_angle_alpha   84.42
_cell_angle_beta   70.48
_cell_angle_gamma   25.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2
_chemical_formula_sum   'Li1 Sn2'
_cell_volume   30.57
_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  0.2  0.28  0.22  1.0
  Sn  Sn2  1  0.2  0.28  0.97  1.0

data_LiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.39
_cell_length_b   2.58
_cell_length_c   5.72
_cell_angle_alpha   84.42
_cell_angle_beta   77.93
_cell_angle_gamma   62.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2
_chemical_formula_sum   'Li1 Sn2'
_cell_volume   30.57
_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  0.03  0.17  0.52  1.0
  Sn  Sn2  1  0.78  0.42  0.52  1.0

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