data_Ta2InCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   5.05
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InCl
_chemical_formula_sum   'Ta2 In1 Cl1'
_cell_volume   78.74
_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  0.49  0.53  0.0  1.0
  Ta  Ta3  1  0.0  0.53  0.62  1.0
  In  In1  1  0.49  0.0  0.62  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ta2InCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.05
_cell_length_b   2.97
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2InCl
_chemical_formula_sum   'Ta2 In1 Cl1'
_cell_volume   78.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.53  0.0  0.62  1.0
  Ta  Ta1  1  0.53  0.5  -0.0  1.0
  In  In2  1  0.0  0.5  0.62  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta Ta In Cl
Ta Ta In Cl 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 1 o o - 0 1 + o - 0 0 + o o 0 2 o + - 1 2 - o o 1 2 - + o 1 2 o o o 1 2 o + o 1 1 + o o 1 3 o + + 2 3 o o + 2 3 + o + 2 2 + o o 3 3 + o o 
Ta2InCl crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to four equivalent Ta(2) and four equivalent Cl(1) atoms. There are a spread of Ta(1)-Ta(2) bond distances ranging from 2.45-3.61 Å. There are a spread of Ta(1)-Cl(1) bond distances ranging from 2.80-3.06 Å. In the second Ta site, Ta(2) is bonded in a 12-coordinate geometry to two equivalent Ta(2), four equivalent Ta(1), four equivalent In(1), and two equivalent Cl(1) atoms. Both Ta(2)-Ta(2) bond lengths are 2.97 Å. There are a spread of Ta(2)-In(1) bond distances ranging from 2.80-3.06 Å. There is one shorter (3.11 Å) and one longer (3.31 Å) Ta(2)-Cl(1) bond length. In(1) is bonded in a 2-coordinate geometry to four equivalent Ta(2) and two equivalent Cl(1) atoms. There is one shorter (2.45 Å) and one longer (2.50 Å) In(1)-Cl(1) bond length. Cl(1) is bonded in a 6-coordinate geometry to two equivalent Ta(2), four equivalent Ta(1), and two equivalent In(1) atoms.