data_Ga2NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   134.46
_cell_angle_beta   134.46
_cell_angle_gamma   66.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiB
_chemical_formula_sum   'Ga2 Ni1 B1'
_cell_volume   48.47
_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
  Ga  Ga1  1  0.78  0.0  0.92  1.0
  Ga  Ga2  1  0.0  0.0  0.84  1.0
  Ni  Ni3  1  0.0  0.78  0.92  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Ga2NiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   4.59
_cell_angle_alpha   112.77
_cell_angle_beta   112.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiB
_chemical_formula_sum   'Ga2 Ni1 B1'
_cell_volume   48.47
_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
  Ga  Ga0  1  0.08  0.0  0.86  1.0
  Ga  Ga1  1  0.16  0.0  0.16  1.0
  Ni  Ni2  1  0.86  0.78  0.86  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ga Ga Ni B
NiGa2B is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NiGa2B cluster. Ni(1) is bonded in a single-bond geometry to one B(1) atom. The Ni(1)-B(1) bond length is 0.81 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one B(1) atom. The Ga(1)-B(1) bond length is 0.81 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one B(1) atom. The Ga(2)-B(1) bond length is 0.73 Å. B(1) is bonded in a trigonal non-coplanar geometry to one Ni(1), one Ga(1), and one Ga(2) atom.