data_TaInTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInTc2
_chemical_formula_sum   'Ta1 In1 Tc2'
_cell_volume   66.76
_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  0.0  0.0  0.48  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.55  0.55  0.1  1.0
  Tc  Tc3  1  0.55  0.55  0.87  1.0

data_TaInTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaInTc2
_chemical_formula_sum   'Ta2 In2 Tc4'
_cell_volume   133.52
_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  0.48  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.05  0.5  0.1  1.0
  Tc  Tc3  2  0.05  0.5  0.87  1.0

Ta In Tc Tc
Ta In Tc Tc 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 0 + o o 0 0 o + o 0 1 o o o 0 1 o o + 1 3 - - - 1 3 - o - 1 3 o - - 1 3 o o - 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 2 3 o o - 
TaTc2In crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 14-coordinate geometry to four equivalent Ta(1), four equivalent Tc(1), four equivalent Tc(2), and two equivalent In(1) atoms. All Ta(1)-Ta(1) bond lengths are 3.10 Å. There are a spread of Ta(1)-Tc(1) bond distances ranging from 3.35-3.61 Å. There are a spread of Ta(1)-Tc(2) bond distances ranging from 3.35-3.61 Å. There is one shorter (3.38 Å) and one longer (3.59 Å) Ta(1)-In(1) bond length. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to four equivalent Ta(1), one Tc(2), and four equivalent In(1) atoms. The Tc(1)-Tc(2) bond length is 1.57 Å. There are a spread of Tc(1)-In(1) bond distances ranging from 2.09-2.49 Å. In the second Tc site, Tc(2) is bonded in a 1-coordinate geometry to four equivalent Ta(1), one Tc(1), and four equivalent In(1) atoms. There are a spread of Tc(2)-In(1) bond distances ranging from 2.17-2.56 Å. In(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1), four equivalent Tc(1), and four equivalent Tc(2) atoms.