data_TaCrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   144.19
_cell_angle_beta   144.19
_cell_angle_gamma   51.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrB
_chemical_formula_sum   'Ta1 Cr1 B1'
_cell_volume   36.1
_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  Ta2  1  0.0  0.0  0.59  1.0
  Cr  Cr1  1  0.0  0.0  0.18  1.0
  B  B0  1  0.0  0.0  0.28  1.0

data_TaCrB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   115.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCrB
_chemical_formula_sum   'Ta2 Cr2 B2'
_cell_volume   72.2
_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  0.09  0.5  0.59  1.0
  Cr  Cr1  2  0.18  0.0  0.18  1.0
  B  B2  2  0.28  0.0  0.28  1.0

Ta Cr B
TaCrB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaCrB clusters. Ta(1) is bonded in a single-bond geometry to one B(1) atom. The Ta(1)-B(1) bond length is 1.50 Å. Cr(1) is bonded in a single-bond geometry to one B(1) atom. The Cr(1)-B(1) bond length is 0.47 Å. B(1) is bonded in a distorted linear geometry to one Ta(1) and one Cr(1) atom.