data_BaLi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Sn
_chemical_formula_sum   'Ba1 Li2 Sn1'
_cell_volume   119.42
_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
  Ba  Ba0  1  0.64  0.0  0.33  1.0
  Li  Li1  1  0.0  0.0  0.7  1.0
  Li  Li2  1  0.64  0.0  0.11  1.0
  Sn  Sn3  1  0.0  0.0  0.78  1.0

data_BaLi2Sn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaLi2Sn
_chemical_formula_sum   'Ba1 Li2 Sn1'
_cell_volume   119.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.64  0.0  0.33  1.0
  Li  Li1  1  0.0  0.0  0.7  1.0
  Li  Li2  1  0.64  0.0  0.11  1.0
  Sn  Sn3  1  0.0  0.0  0.78  1.0

Ba Li Li Sn
Ba Li Li Sn 0 2 o o o 1 3 o o o 
Li2BaSn crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Li2BaSn cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Sn(1) atom. The Li(1)-Sn(1) bond length is 0.67 Å. In the second Li site, Li(2) is bonded in a bent 150 degrees geometry to one Ba(1) and one Sn(1) atom. The Li(2)-Ba(1) bond length is 1.87 Å. The Li(2)-Sn(1) bond length is 3.06 Å. Ba(1) is bonded in a distorted single-bond geometry to one Li(2) atom. Sn(1) is bonded in a single-bond geometry to one Li(1) and one Li(2) atom.