data_TiBeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   151.45
_cell_angle_beta   142.79
_cell_angle_gamma   47.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeB
_chemical_formula_sum   'Ti1 Be1 B1'
_cell_volume   29.13
_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  0.9  1.0
  Be  Be1  1  0.0  0.0  0.35  1.0
  B  B0  1  0.0  0.0  0.27  1.0

data_TiBeB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.3
_cell_length_b   2.97
_cell_length_c   4.66
_cell_angle_alpha   108.6
_cell_angle_beta   104.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeB
_chemical_formula_sum   'Ti1 Be1 B1'
_cell_volume   29.13
_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  Ti0  1  0.0  0.9  0.9  1.0
  Be  Be1  1  0.0  0.35  0.35  1.0
  B  B2  1  0.0  0.27  0.27  1.0

Ti Be B
BeTiB crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeTiB cluster. Be(1) is bonded in a single-bond geometry to one B(1) atom. The Be(1)-B(1) bond length is 0.38 Å. Ti(1) is bonded in a single-bond geometry to one B(1) atom. The Ti(1)-B(1) bond length is 1.72 Å. B(1) is bonded in a distorted single-bond geometry to one Be(1) and one Ti(1) atom.