data_Si2NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.06
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2NiB
_chemical_formula_sum   'Si2 Ni1 B1'
_cell_volume   43.36
_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
  Si  Si2  1  0.4  0.53  0.88  1.0
  Si  Si3  1  0.4  0.53  0.16  1.0
  Ni  Ni1  1  0.0  0.0  0.52  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Si2NiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.06
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2NiB
_chemical_formula_sum   'Si2 Ni1 B1'
_cell_volume   43.36
_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
  Si  Si0  1  0.4  0.53  0.16  1.0
  Si  Si1  1  0.4  0.53  0.88  1.0
  Ni  Ni2  1  0.0  0.0  0.52  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Si Si Ni B
NiBSi2 crystallizes in the triclinic P1 space group. Ni(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent B(1), four equivalent Si(1), and four equivalent Si(2) atoms. There are two shorter (2.81 Å) and two longer (3.06 Å) Ni(1)-Ni(1) bond lengths. There is one shorter (2.42 Å) and one longer (2.62 Å) Ni(1)-B(1) bond length. There are a spread of Ni(1)-Si(1) bond distances ranging from 2.59-2.97 Å. There are a spread of Ni(1)-Si(2) bond distances ranging from 2.59-2.97 Å. B(1) is bonded in a 10-coordinate geometry to two equivalent Ni(1), four equivalent Si(1), and four equivalent Si(2) atoms. There are a spread of B(1)-Si(1) bond distances ranging from 1.92-2.41 Å. There are a spread of B(1)-Si(2) bond distances ranging from 1.99-2.46 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 1-coordinate geometry to four equivalent Ni(1), four equivalent B(1), and one Si(2) atom. The Si(1)-Si(2) bond length is 1.37 Å. In the second Si site, Si(2) is bonded in a 1-coordinate geometry to four equivalent Ni(1), four equivalent B(1), and one Si(1) atom.