data_ZnNi4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi4Te
_chemical_formula_sum   'Zn1 Ni4 Te1'
_cell_volume   80.47
_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  Zn5  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.29  0.29  0.57  1.0
  Ni  Ni1  1  0.29  0.57  0.29  1.0
  Ni  Ni2  1  0.57  0.29  0.29  1.0
  Ni  Ni3  1  0.57  0.57  0.57  1.0
  Te  Te4  1  0.14  0.14  0.14  1.0

data_ZnNi4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnNi4Te
_chemical_formula_sum   'Zn3 Ni12 Te3'
_cell_volume   241.4
_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  0.0  1.0
  Ni  Ni1  9  0.09  0.19  0.62  1.0
  Ni  Ni2  3  0.0  0.0  0.43  1.0
  Te  Te3  3  0.0  0.0  0.86  1.0

Zn Ni Ni Ni Ni Te
Zn Ni Ni Ni Ni Te 0 3 - o o 0 2 o - o 0 1 o o - 0 5 o o o 0 4 o - - 0 4 - o - 0 4 - - o 1 3 o o o 1 2 o o o 1 4 o o o 1 4 o - o 1 4 - o o 2 3 o o o 2 4 o o o 2 4 o o - 2 4 - o o 3 4 o o o 3 4 o o - 3 4 o - o 4 5 o o + 4 5 o + o 4 5 + o o 
Ni4ZnTe crystallizes in the trigonal R3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1), three equivalent Ni(2), one Zn(1), and one Te(1) atom. Both Ni(1)-Ni(1) bond lengths are 1.37 Å. There is one shorter (2.37 Å) and two longer (3.04 Å) Ni(1)-Ni(2) bond lengths. The Ni(1)-Zn(1) bond length is 2.08 Å. The Ni(1)-Te(1) bond length is 2.30 Å. In the second Ni site, Ni(2) is bonded in a 15-coordinate geometry to nine equivalent Ni(1), three equivalent Zn(1), and three equivalent Te(1) atoms. All Ni(2)-Zn(1) bond lengths are 3.04 Å. All Ni(2)-Te(1) bond lengths are 3.01 Å. Zn(1) is bonded in a 4-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and one Te(1) atom. The Zn(1)-Te(1) bond length is 1.66 Å. Te(1) is bonded in a single-bond geometry to three equivalent Ni(1), three equivalent Ni(2), and one Zn(1) atom.