data_TaBe2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   147.51
_cell_angle_beta   129.33
_cell_angle_gamma   61.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Nb
_chemical_formula_sum   'Ta1 Be2 Nb1'
_cell_volume   54.32
_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
  Ta  Ta3  1  0.0  0.18  0.33  1.0
  Be  Be0  1  0.0  0.0  0.27  1.0
  Be  Be1  1  0.42  0.0  0.92  1.0
  Nb  Nb2  1  0.0  0.0  0.24  1.0

data_TaBe2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.36
_cell_length_c   5.09
_cell_angle_alpha   115.33
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Nb
_chemical_formula_sum   'Ta1 Be2 Nb1'
_cell_volume   54.32
_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
  Ta  Ta0  1  0.82  0.15  0.15  1.0
  Be  Be1  1  0.0  0.27  0.27  1.0
  Be  Be2  1  0.0  0.92  0.49  1.0
  Nb  Nb3  1  0.0  0.24  0.24  1.0

Ta Be Be Nb
Be2TaNb crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to two equivalent Be(2) and one Nb(1) atom. There is one shorter (2.27 Å) and one longer (2.53 Å) Be(1)-Be(2) bond length. The Be(1)-Nb(1) bond length is 0.19 Å. In the second Be site, Be(2) is bonded in a 6-coordinate geometry to two equivalent Be(1), three equivalent Ta(1), and one Nb(1) atom. There are a spread of Be(2)-Ta(1) bond distances ranging from 2.31-3.25 Å. The Be(2)-Nb(1) bond length is 2.28 Å. Ta(1) is bonded in a single-bond geometry to three equivalent Be(2) and one Nb(1) atom. The Ta(1)-Nb(1) bond length is 0.58 Å. Nb(1) is bonded in a distorted bent 120 degrees geometry to one Be(1), one Be(2), and one Ta(1) atom.