data_Ta2InB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   3.09
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   95.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InB
_chemical_formula_sum   'Ta2 In1 B1'
_cell_volume   65.0
_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  0.08  0.55  0.96  1.0
  Ta  Ta3  1  0.06  0.55  0.32  1.0
  In  In1  1  0.62  0.0  0.64  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Ta2InB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.09
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   95.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InB
_chemical_formula_sum   'Ta2 In1 B1'
_cell_volume   65.0
_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  Ta0  1  0.06  0.55  0.32  1.0
  Ta  Ta1  1  0.08  0.55  0.96  1.0
  In  In2  1  0.62  0.0  0.64  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ta Ta In B
Ta Ta In B 0 3 o o + 0 3 o + + 0 1 o o + 0 2 o + o 0 2 o o o 0 2 - + o 0 2 - o o 1 3 o o o 1 3 o + o 1 2 - o o 1 2 - + o 1 2 o o o 1 2 o + o 1 1 + o o 1 1 o + o 2 3 o o + 2 3 + o + 2 2 + o o 2 2 o + o 
Ta2InB crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a bent 150 degrees geometry to one Ta(2), four equivalent In(1), and two equivalent B(1) atoms. The Ta(1)-Ta(2) bond length is 2.65 Å. There are a spread of Ta(1)-In(1) bond distances ranging from 2.92-3.40 Å. There is one shorter (1.45 Å) and one longer (1.73 Å) Ta(1)-B(1) bond length. In the second Ta site, Ta(2) is bonded in a 11-coordinate geometry to one Ta(1), four equivalent Ta(2), four equivalent In(1), and two equivalent B(1) atoms. There are two shorter (2.88 Å) and two longer (3.09 Å) Ta(2)-Ta(2) bond lengths. There are a spread of Ta(2)-In(1) bond distances ranging from 3.05-3.24 Å. There is one shorter (2.73 Å) and one longer (2.89 Å) Ta(2)-B(1) bond length. In(1) is bonded in a 13-coordinate geometry to four equivalent Ta(1), four equivalent Ta(2), four equivalent In(1), and one B(1) atom. There are two shorter (2.88 Å) and two longer (3.09 Å) In(1)-In(1) bond lengths. The In(1)-B(1) bond length is 2.74 Å. B(1) is bonded in a bent 150 degrees geometry to two equivalent Ta(1), two equivalent Ta(2), and one In(1) atom.