data_ZnSiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiTe
_chemical_formula_sum   'Zn1 Si1 Te1'
_cell_volume   70.26
_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  0.64  0.64  0.64  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.28  0.28  0.28  1.0

data_ZnSiTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   11.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnSiTe
_chemical_formula_sum   'Zn3 Si3 Te3'
_cell_volume   210.79
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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  3  0.0  0.0  0.36  1.0
  Si  Si1  3  0.0  0.0  0.0  1.0
  Te  Te2  3  0.0  0.0  0.72  1.0

Zn Si Te
ZnSiTe crystallizes in the trigonal R3m space group. Zn(1) is bonded in a hexagonal planar geometry to three equivalent Si(1) and three equivalent Te(1) atoms. All Zn(1)-Si(1) bond lengths are 2.69 Å. All Zn(1)-Te(1) bond lengths are 2.69 Å. Si(1) is bonded to three equivalent Zn(1) and four equivalent Te(1) atoms to form SiZn3Te4 hexagonal pyramids that share corners with three equivalent Te(1)Zn3Si4 hexagonal pyramids, corners with six equivalent Si(1)Zn3Te4 hexagonal pyramids, edges with three equivalent Te(1)Zn3Si4 hexagonal pyramids, and edges with six equivalent Si(1)Zn3Te4 hexagonal pyramids. There are three shorter (2.75 Å) and one longer (3.12 Å) Si(1)-Te(1) bond length. Te(1) is bonded to three equivalent Zn(1) and four equivalent Si(1) atoms to form distorted TeZn3Si4 hexagonal pyramids that share corners with three equivalent Si(1)Zn3Te4 hexagonal pyramids, corners with six equivalent Te(1)Zn3Si4 hexagonal pyramids, edges with three equivalent Si(1)Zn3Te4 hexagonal pyramids, and edges with six equivalent Te(1)Zn3Si4 hexagonal pyramids.