data_NiSnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnB2
_chemical_formula_sum   'Ni1 Sn1 B2'
_cell_volume   50.35
_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
  Ni  Ni2  1  0.0  0.0  0.42  1.0
  Sn  Sn3  1  0.41  0.41  0.06  1.0
  B  B0  1  0.0  0.0  0.58  1.0
  B  B1  1  0.41  0.41  0.45  1.0

data_NiSnB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiSnB2
_chemical_formula_sum   'Ni2 Sn2 B4'
_cell_volume   100.71
_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
  Ni  Ni0  2  0.0  0.0  0.42  1.0
  Sn  Sn1  2  0.41  0.0  0.06  1.0
  B  B2  2  0.0  0.0  0.58  1.0
  B  B3  2  0.41  0.0  0.45  1.0

Ni Sn B B
NiB2Sn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NiB2Sn clusters. Ni(1) is bonded in a distorted single-bond geometry to one B(1) and one B(2) atom. The Ni(1)-B(1) bond length is 0.96 Å. The Ni(1)-B(2) bond length is 1.64 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second B site, B(2) is bonded in a 1-coordinate geometry to one Ni(1) and one Sn(1) atom. The B(2)-Sn(1) bond length is 2.48 Å. Sn(1) is bonded in a 1-coordinate geometry to one B(2) atom.