data_InSnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   5.54
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnTe2
_chemical_formula_sum   'In1 Sn1 Te2'
_cell_volume   115.9
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.01  0.0  0.15  1.0
  Te  Te2  1  0.99  0.77  0.7  1.0
  Te  Te3  1  0.03  0.77  0.61  1.0

data_InSnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.54
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnTe2
_chemical_formula_sum   'In1 Sn1 Te2'
_cell_volume   115.9
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.01  0.0  0.15  1.0
  Te  Te2  1  0.03  0.77  0.61  1.0
  Te  Te3  1  0.99  0.77  0.7  1.0

In Sn Te Te
InSnTe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one InSnTe2 cluster. In(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one Te(1) atom. The In(1)-Sn(1) bond length is 0.98 Å. The In(1)-Te(1) bond length is 2.32 Å. Sn(1) is bonded in a single-bond geometry to one In(1) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a bent 150 degrees geometry to one In(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 0.60 Å. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one Te(1) atom.