data_NiSnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnTe2
_chemical_formula_sum   'Ni1 Sn1 Te2'
_cell_volume   101.59
_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
  Ni  Ni0  1  0.0  0.0  0.02  1.0
  Sn  Sn1  1  0.2  0.0  0.31  1.0
  Te  Te2  1  0.0  0.0  0.18  1.0
  Te  Te3  1  0.2  0.0  0.45  1.0

data_NiSnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnTe2
_chemical_formula_sum   'Ni1 Sn1 Te2'
_cell_volume   101.59
_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
  Ni  Ni0  1  0.0  0.0  0.02  1.0
  Sn  Sn1  1  0.2  0.0  0.31  1.0
  Te  Te2  1  0.0  0.0  0.18  1.0
  Te  Te3  1  0.2  0.0  0.45  1.0

Ni Sn Te Te
NiSnTe2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NiSnTe2 cluster. Ni(1) is bonded in a single-bond geometry to one Te(1) atom. The Ni(1)-Te(1) bond length is 1.54 Å. Sn(1) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(2) atom. The Sn(1)-Te(1) bond length is 1.45 Å. The Sn(1)-Te(2) bond length is 1.43 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one Sn(1) atom. In the second Te site, Te(2) is bonded in a single-bond geometry to one Sn(1) atom.