data_Ni2SnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnTe
_chemical_formula_sum   'Ni2 Sn1 Te1'
_cell_volume   75.8
_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  0.16  1.0
  Ni  Ni1  1  0.65  0.65  0.5  1.0
  Sn  Sn2  1  0.0  0.0  0.83  1.0
  Te  Te3  1  0.65  0.65  0.9  1.0

data_Ni2SnTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2SnTe
_chemical_formula_sum   'Ni4 Sn2 Te2'
_cell_volume   151.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.16  1.0
  Ni  Ni1  2  0.15  0.5  0.5  1.0
  Sn  Sn2  2  0.0  0.0  0.83  1.0
  Te  Te3  2  0.15  0.5  0.9  1.0

Ni Ni Sn Te
Ni Ni Sn Te 0 3 - - - 0 1 - - o 0 1 o - o 0 1 - o o 0 2 o o - 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 1 3 o o o 2 3 - - o 
Ni2SnTe crystallizes in the monoclinic Cm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one Ni(2), one Sn(1), and three equivalent Te(1) atoms. The Ni(1)-Ni(2) bond length is 2.82 Å. The Ni(1)-Sn(1) bond length is 2.30 Å. There is one shorter (2.45 Å) and two longer (3.06 Å) Ni(1)-Te(1) bond lengths. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Ni(1), one Sn(1), and one Te(1) atom. The Ni(2)-Sn(1) bond length is 2.82 Å. The Ni(2)-Te(1) bond length is 2.77 Å. Sn(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), and one Te(1) atom. The Sn(1)-Te(1) bond length is 1.68 Å. Te(1) is bonded in a distorted single-bond geometry to one Ni(2), three equivalent Ni(1), and one Sn(1) atom.