data_SiNiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.84
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiTe2
_chemical_formula_sum   'Si1 Ni1 Te2'
_cell_volume   80.02
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.42  0.48  1.0
  Te  Te2  1  0.67  0.0  0.48  1.0
  Te  Te3  1  0.67  0.42  0.0  1.0

data_SiNiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.84
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNiTe2
_chemical_formula_sum   'Si1 Ni1 Te2'
_cell_volume   80.02
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.42  0.48  1.0
  Te  Te2  1  0.67  0.0  0.48  1.0
  Te  Te3  1  0.67  0.42  -0.0  1.0

Si Ni Te Te
NiSiTe2 crystallizes in the triclinic P1 space group. Ni(1) is bonded in a 5-coordinate geometry to two equivalent Te(2) and three equivalent Te(1) atoms. There is one shorter (2.63 Å) and one longer (2.81 Å) Ni(1)-Te(2) bond length. There are a spread of Ni(1)-Te(1) bond distances ranging from 2.32-3.02 Å. Si(1) is bonded in a 5-coordinate geometry to two equivalent Te(1) and three equivalent Te(2) atoms. There is one shorter (2.63 Å) and one longer (2.81 Å) Si(1)-Te(1) bond length. There are a spread of Si(1)-Te(2) bond distances ranging from 2.32-3.02 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to three equivalent Ni(1) and two equivalent Si(1) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Ni(1) and three equivalent Si(1) atoms.