data_Na2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   4.76
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   98.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SnB
_chemical_formula_sum   'Na2 Sn1 B1'
_cell_volume   83.68
_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
  Na  Na1  1  0.09  0.38  0.12  1.0
  Na  Na2  1  0.67  0.38  0.9  1.0
  Sn  Sn3  1  0.63  0.0  0.51  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Na2SnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.76
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   98.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SnB
_chemical_formula_sum   'Na2 Sn1 B1'
_cell_volume   83.68
_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
  Na  Na0  1  0.09  0.38  0.12  1.0
  Na  Na1  1  0.67  0.38  0.9  1.0
  Sn  Sn2  1  0.63  0.0  0.51  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Na Na Sn B
Na Na Sn B 0 3 o o o 0 1 - o - 0 2 o o o 0 2 - o o 1 2 o o o 1 3 + o + 2 3 o o o 2 3 + o o 2 3 + o + 
Na2BSn crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to one Na(2), one B(1), and two equivalent Sn(1) atoms. The Na(1)-Na(2) bond length is 1.70 Å. The Na(1)-B(1) bond length is 1.91 Å. There is one shorter (3.11 Å) and one longer (3.28 Å) Na(1)-Sn(1) bond length. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and two equivalent Sn(1) atoms. The Na(2)-B(1) bond length is 2.16 Å. There is one shorter (2.67 Å) and one longer (3.56 Å) Na(2)-Sn(1) bond length. B(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), and one Sn(1) atom. The B(1)-Sn(1) bond length is 2.63 Å. Sn(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one B(1) atom.