data_TaIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   5.01
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Au
_chemical_formula_sum   'Ta1 In2 Au1'
_cell_volume   81.33
_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  Ta3  1  0.53  0.0  0.92  1.0
  In  In1  1  0.0  0.0  0.33  1.0
  In  In2  1  0.0  0.5  0.61  1.0
  Au  Au0  1  0.53  0.5  0.12  1.0

data_TaIn2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.05
_cell_length_b   5.01
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaIn2Au
_chemical_formula_sum   'Ta1 In2 Au1'
_cell_volume   81.33
_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  0.92  1.0
  In  In1  1  0.0  0.0  0.33  1.0
  In  In2  1  0.0  0.5  0.61  1.0
  Au  Au3  1  0.53  0.5  0.12  1.0

Ta In In Au
Ta In In Au 0 1 o o + 0 1 + o + 0 0 + o o 0 3 o - + 0 3 o o + 0 2 + o o 0 2 + - o 0 2 o o o 0 2 o - o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 1 + o o 1 2 o - o 1 2 o o o 2 3 - o o 2 3 - o + 2 3 o o o 2 3 o o + 2 2 + o o 3 3 + o o 
TaAuIn2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 4-coordinate geometry to two equivalent Au(1), four equivalent In(1), and four equivalent In(2) atoms. There is one shorter (2.69 Å) and one longer (2.73 Å) Ta(1)-Au(1) bond length. There are a spread of Ta(1)-In(1) bond distances ranging from 2.58-3.57 Å. There are a spread of Ta(1)-In(2) bond distances ranging from 3.32-3.42 Å. Au(1) is bonded in a 12-coordinate geometry to two equivalent Ta(1), two equivalent Au(1), four equivalent In(1), and four equivalent In(2) atoms. Both Au(1)-Au(1) bond lengths are 3.05 Å. There are a spread of Au(1)-In(1) bond distances ranging from 3.07-3.19 Å. There are a spread of Au(1)-In(2) bond distances ranging from 3.00-3.14 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to four equivalent Ta(1), four equivalent Au(1), two equivalent In(1), and two equivalent In(2) atoms. Both In(1)-In(1) bond lengths are 3.05 Å. There is one shorter (2.92 Å) and one longer (2.95 Å) In(1)-In(2) bond length. In the second In site, In(2) is bonded to four equivalent Ta(1), four equivalent Au(1), two equivalent In(1), and two equivalent In(2) atoms to form a mixture of distorted edge, corner, and face-sharing InTa4In4Au4 cuboctahedra. Both In(2)-In(2) bond lengths are 3.05 Å.