data_TiBe2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96
_cell_length_b   8.96
_cell_length_c   8.96
_cell_angle_alpha   17.34
_cell_angle_beta   17.34
_cell_angle_gamma   17.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Nb
_chemical_formula_sum   'Ti1 Be2 Nb1'
_cell_volume   55.84
_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
  Ti  Ti3  1  0.0  0.0  0.63  1.0
  Be  Be0  1  0.0  0.0  0.27  1.0
  Be  Be1  1  0.0  0.0  0.85  1.0
  Nb  Nb2  1  0.0  0.0  0.45  1.0

data_TiBe2Nb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   2.7
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiBe2Nb
_chemical_formula_sum   'Ti2 Be4 Nb2'
_cell_volume   111.68
_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
  Ti  Ti0  2  0.0  0.0  0.37  1.0
  Be  Be1  2  0.0  0.0  0.15  1.0
  Be  Be2  2  0.0  0.0  0.73  1.0
  Nb  Nb3  2  0.0  0.0  0.55  1.0

Ti Be Be Nb
Ti Be Be Nb 0 3 o o o 0 2 o o o 1 3 o o o 
Be2TiNb is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Be2TiNb clusters. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to one Nb(1) atom. The Be(1)-Nb(1) bond length is 1.60 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Ti(1) atom. The Be(2)-Ti(1) bond length is 1.93 Å. Ti(1) is bonded in a distorted linear geometry to one Be(2) and one Nb(1) atom. The Ti(1)-Nb(1) bond length is 1.64 Å. Nb(1) is bonded in a linear geometry to one Be(1) and one Ti(1) atom.