data_TiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   144.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe
_chemical_formula_sum   'Ti2 Be2'
_cell_volume   52.05
_cell_formula_units_Z   2
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  0.5  0.77  0.74  1.0
  Ti  Ti3  1  0.5  0.23  0.91  1.0
  Be  Be0  1  0.5  0.4  0.74  1.0
  Be  Be1  1  0.5  0.6  0.91  1.0

data_TiBe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.0
_cell_length_b   3.65
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiBe
_chemical_formula_sum   'Ti2 Be2'
_cell_volume   52.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Ti0  2  0.23  0.91  0.23  1.0
  Be  Be1  2  0.4  0.09  0.4  1.0

Ti Ti Be Be
TiBe crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one TiBe cluster. Be(1) is bonded in a water-like geometry to one Be(1) and one Ti(1) atom. The Be(1)-Be(1) bond length is 1.17 Å. The Be(1)-Ti(1) bond length is 1.06 Å. Ti(1) is bonded in a single-bond geometry to one Be(1) atom.