data_TaInTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   4.82
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   104.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInTe2
_chemical_formula_sum   'Ta1 In1 Te2'
_cell_volume   102.22
_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  0.1  0.0  0.88  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.31  0.41  0.21  1.0
  Te  Te3  1  0.9  0.41  0.54  1.0

data_TaInTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.82
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   104.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInTe2
_chemical_formula_sum   'Ta1 In1 Te2'
_cell_volume   102.22
_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  0.1  0.0  0.88  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.31  0.41  0.21  1.0
  Te  Te3  1  0.9  0.41  0.54  1.0

Ta In Te Te
TaInTe2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a distorted single-bond geometry to one In(1) and two equivalent Te(2) atoms. The Ta(1)-In(1) bond length is 0.91 Å. There is one shorter (2.76 Å) and one longer (3.44 Å) Ta(1)-Te(2) bond length. In(1) is bonded in a single-bond geometry to one Ta(1) and one Te(1) atom. The In(1)-Te(1) bond length is 2.46 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 1-coordinate geometry to one In(1) and two equivalent Te(2) atoms. There is one shorter (2.57 Å) and one longer (2.77 Å) Te(1)-Te(2) bond length. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Te(1) atoms.