data_Ba2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   135.92
_cell_angle_beta   135.92
_cell_angle_gamma   64.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnB
_chemical_formula_sum   'Ba2 Sn1 B1'
_cell_volume   128.9
_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  Ba1  1  0.0  0.43  0.74  1.0
  Ba  Ba2  1  0.0  0.0  0.48  1.0
  Sn  Sn3  1  0.43  0.0  0.74  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Ba2SnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.46
_cell_angle_alpha   112.04
_cell_angle_beta   112.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnB
_chemical_formula_sum   'Ba2 Sn1 B1'
_cell_volume   128.9
_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  0.31  0.74  0.31  1.0
  Ba  Ba1  1  0.48  0.48  0.48  1.0
  Sn  Sn2  1  0.74  0.31  0.31  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ba Ba Sn B
Ba2BSn crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to one Ba(2) and two equivalent B(1) atoms. The Ba(1)-Ba(2) bond length is 1.93 Å. There is one shorter (2.76 Å) and one longer (3.39 Å) Ba(1)-B(1) bond length. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent B(1), and one Sn(1) atom. There is one shorter (3.09 Å) and one longer (3.37 Å) Ba(2)-B(1) bond length. The Ba(2)-Sn(1) bond length is 1.93 Å. B(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sn(1) atom to form distorted corner-sharing BBa4Sn trigonal bipyramids. The B(1)-Sn(1) bond length is 2.76 Å. Sn(1) is bonded in a single-bond geometry to one Ba(2) and one B(1) atom.