data_KZnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnTe
_chemical_formula_sum   'K1 Zn1 Te1'
_cell_volume   99.38
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.84  0.84  0.84  1.0
  Te  Te1  1  0.68  0.68  0.68  1.0

data_KZnTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KZnTe
_chemical_formula_sum   'K3 Zn3 Te3'
_cell_volume   298.15
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  3  0.0  0.0  0.16  1.0
  Te  Te2  3  0.0  0.0  0.32  1.0

K Zn Te
K Zn Te 0 1 - - - 1 2 o o o 
KZnTe crystallizes in the trigonal R3m space group. K(1) is bonded to one Zn(1) and three equivalent Te(1) atoms to form distorted KZnTe3 trigonal pyramids that share  a cornercorner with one Te(1)K3Zn trigonal pyramid and corners with six equivalent K(1)ZnTe3 trigonal pyramids. The K(1)-Zn(1) bond length is 2.06 Å. All K(1)-Te(1) bond lengths are 3.00 Å. Zn(1) is bonded in a linear geometry to one K(1) and one Te(1) atom. The Zn(1)-Te(1) bond length is 2.06 Å. Te(1) is bonded to three equivalent K(1) and one Zn(1) atom to form TeK3Zn trigonal pyramids that share  a cornercorner with one K(1)ZnTe3 trigonal pyramid and corners with six equivalent Te(1)K3Zn trigonal pyramids.