data_Ta2TiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiB
_chemical_formula_sum   'Ta2 Ti1 B1'
_cell_volume   59.5
_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  Ta1  1  0.37  0.37  0.42  1.0
  Ta  Ta2  1  0.0  0.0  1.0  1.0
  Ti  Ti3  1  0.37  0.37  0.39  1.0
  B  B0  1  0.0  0.0  0.87  1.0

data_Ta2TiB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2TiB
_chemical_formula_sum   'Ta4 Ti2 B2'
_cell_volume   118.99
_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
  Ta  Ta0  2  0.0  0.0  1.0  1.0
  Ta  Ta1  2  0.37  0.0  0.42  1.0
  Ti  Ti2  2  0.37  0.0  0.39  1.0
  B  B3  2  0.0  0.0  0.87  1.0

Ta Ta Ti B
Ta Ta Ti B 0 2 o o o 1 3 o o o 
TiTaTaB is Cubic alpha N2-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two tantalum boride molecules and two tantalum--titanium (1/1) molecules.