data_TiBe2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2V
_chemical_formula_sum   'Ti1 Be2 V1'
_cell_volume   46.84
_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  Ti2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.32  0.32  0.01  1.0
  Be  Be1  1  0.32  0.32  0.76  1.0
  V  V3  1  0.0  0.0  0.38  1.0

data_TiBe2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiBe2V
_chemical_formula_sum   'Ti2 Be4 V2'
_cell_volume   93.68
_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  0.0  1.0
  Be  Be1  2  0.32  0.0  0.01  1.0
  Be  Be2  2  0.32  0.0  0.76  1.0
  V  V3  2  0.0  0.0  0.38  1.0

Ti Be Be V
Be2TiV crystallizes in the monoclinic Cm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted single-bond geometry to one Be(2) and one Ti(1) atom. The Be(1)-Be(2) bond length is 1.69 Å. The Be(1)-Ti(1) bond length is 1.18 Å. In the second Be site, Be(2) is bonded in a 1-coordinate geometry to one Be(1) and one V(1) atom. The Be(2)-V(1) bond length is 2.79 Å. Ti(1) is bonded in a distorted single-bond geometry to one Be(1) and one V(1) atom. The Ti(1)-V(1) bond length is 2.58 Å. V(1) is bonded in a 6-coordinate geometry to one Be(2), one Ti(1), and four equivalent V(1) atoms. All V(1)-V(1) bond lengths are 2.63 Å.