data_TaZn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2In
_chemical_formula_sum   'Ta1 Zn2 In1'
_cell_volume   71.5
_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  0.03  0.0  0.94  1.0
  Zn  Zn2  1  0.0  0.0  0.42  1.0
  Zn  Zn3  1  0.03  0.0  0.59  1.0
  In  In0  1  0.0  0.0  0.24  1.0

data_TaZn2In
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaZn2In
_chemical_formula_sum   'Ta1 Zn2 In1'
_cell_volume   71.52
_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  0.03  0.0  0.94  1.0
  Zn  Zn1  1  0.0  0.0  0.42  1.0
  Zn  Zn2  1  0.03  0.0  0.59  1.0
  In  In3  1  0.0  0.0  0.24  1.0

Ta Zn Zn In
TaZn2In crystallizes in the monoclinic Pm space group. Ta(1) is bonded to four equivalent Ta(1), one Zn(2), and one In(1) atom to form a mixture of distorted corner and edge-sharing TaTa4ZnIn octahedra. The corner-sharing octahedra are not tilted. All Ta(1)-Ta(1) bond lengths are 2.90 Å. The Ta(1)-Zn(2) bond length is 2.99 Å. The Ta(1)-In(1) bond length is 2.51 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted linear geometry to one Zn(2) and one In(1) atom. The Zn(1)-Zn(2) bond length is 1.48 Å. The Zn(1)-In(1) bond length is 1.51 Å. In the second Zn site, Zn(2) is bonded in a 1-coordinate geometry to one Ta(1) and one Zn(1) atom. In(1) is bonded in a distorted linear geometry to one Ta(1) and one Zn(1) atom.