data_Zn3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Te
_chemical_formula_sum   'Zn6 Te2'
_cell_volume   166.01
_cell_formula_units_Z   2
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  0.37  0.0  0.75  1.0
  Zn  Zn3  1  0.12  0.0  0.75  1.0
  Zn  Zn4  1  0.75  0.37  0.0  1.0
  Zn  Zn5  1  0.75  0.12  0.0  1.0
  Zn  Zn6  1  0.0  0.75  0.12  1.0
  Zn  Zn7  1  0.0  0.75  0.37  1.0
  Te  Te0  1  0.75  0.75  0.75  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0

data_Zn3Te
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Zn3Te
_chemical_formula_sum   'Zn18 Te6'
_cell_volume   498.04
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  -0.0  0.63  0.37  1.0
  Zn  Zn1  9  0.04  0.83  0.96  1.0
  Te  Te2  3  0.0  0.0  0.0  1.0
  Te  Te3  3  0.0  0.0  0.75  1.0

Zn Zn Zn Zn Zn Zn Te Te
Zn3Te crystallizes in the trigonal R3 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one Te(1) atom. The Zn(1)-Zn(2) bond length is 1.38 Å. The Zn(1)-Te(1) bond length is 2.48 Å. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Zn(1), one Te(1), and one Te(2) atom. The Zn(2)-Te(1) bond length is 2.48 Å. The Zn(2)-Te(2) bond length is 1.54 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to three equivalent Zn(1) and three equivalent Zn(2) atoms. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to three equivalent Zn(2) atoms.