data_BeNb2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   149.83
_cell_angle_beta   128.8
_cell_angle_gamma   60.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Ni
_chemical_formula_sum   'Be1 Nb2 Ni1'
_cell_volume   55.5
_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
  Be  Be0  1  0.0  0.0  0.5  1.0
  Nb  Nb1  1  0.36  0.0  0.19  1.0
  Nb  Nb2  1  0.0  0.0  0.64  1.0
  Ni  Ni3  1  0.36  0.0  0.21  1.0

data_BeNb2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.52
_cell_length_c   5.23
_cell_angle_alpha   115.6
_cell_angle_beta   105.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Ni
_chemical_formula_sum   'Be1 Nb2 Ni1'
_cell_volume   55.5
_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
  Be  Be0  1  0.0  0.5  0.5  1.0
  Nb  Nb1  1  0.0  0.19  0.83  1.0
  Nb  Nb2  1  0.0  0.64  0.64  1.0
  Ni  Ni3  1  0.0  0.21  0.85  1.0

Be Nb Nb Ni
NbBeNiNb is beta oxygen-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one 12034-55-8 molecule and one NbBe cluster. In the NbBe cluster, Be(1) is bonded in a single-bond geometry to one Nb(2) atom. The Be(1)-Nb(2) bond length is 0.76 Å. Nb(2) is bonded in a single-bond geometry to one Be(1) atom.