data_Zn2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SbTe
_chemical_formula_sum   'Zn2 Sb1 Te1'
_cell_volume   100.31
_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
  Zn  Zn2  1  0.0  0.0  0.03  1.0
  Zn  Zn3  1  0.88  0.88  0.71  1.0
  Sb  Sb0  1  0.0  0.0  0.8  1.0
  Te  Te1  1  0.88  0.88  0.04  1.0

data_Zn2SbTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SbTe
_chemical_formula_sum   'Zn4 Sb2 Te2'
_cell_volume   200.61
_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
  Zn  Zn0  2  0.0  0.0  0.03  1.0
  Zn  Zn1  2  0.38  0.5  0.71  1.0
  Sb  Sb2  2  0.0  0.0  0.8  1.0
  Te  Te3  2  0.38  0.5  0.04  1.0

Zn Zn Sb Te
Zn Zn Sb Te 0 3 - - o 1 2 + + o 
Zn2SbTe is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Zn2SbTe clusters. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted L-shaped geometry to one Sb(1) and one Te(1) atom. The Zn(1)-Sb(1) bond length is 1.65 Å. The Zn(1)-Te(1) bond length is 0.62 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Sb(1) atom. The Zn(2)-Sb(1) bond length is 0.87 Å. Sb(1) is bonded in a 2-coordinate geometry to one Zn(1) and one Zn(2) atom. Te(1) is bonded in a single-bond geometry to one Zn(1) atom.