data_BaNaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaSn2
_chemical_formula_sum   'Ba1 Na1 Sn2'
_cell_volume   126.6
_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  0.0  0.0  0.09  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.76  0.76  0.4  1.0
  Sn  Sn3  1  0.76  0.76  0.78  1.0

data_BaNaSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNaSn2
_chemical_formula_sum   'Ba2 Na2 Sn4'
_cell_volume   253.21
_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
  Ba  Ba0  2  0.0  0.0  0.09  1.0
  Na  Na1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.26  0.5  0.4  1.0
  Sn  Sn3  2  0.26  0.5  0.78  1.0

Ba Na Sn Sn
Ba Na Sn Sn 0 1 o o o 0 2 - - o 1 3 - - - 2 2 + o o 2 2 o + o 2 3 o o o 
NaBaSn2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaBaSn2 clusters. Na(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Sn(2) atom. The Na(1)-Ba(1) bond length is 0.92 Å. The Na(1)-Sn(2) bond length is 2.54 Å. Ba(1) is bonded in a distorted single-bond geometry to one Na(1) and one Sn(1) atom. The Ba(1)-Sn(1) bond length is 3.38 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Ba(1) atom. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one Na(1) atom.