data_ZnNiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   4.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiW
_chemical_formula_sum   'Zn1 Ni1 W1'
_cell_volume   49.15
_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  0.91  0.91  0.91  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.36  0.36  0.36  1.0

data_ZnNiW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnNiW
_chemical_formula_sum   'Zn3 Ni3 W3'
_cell_volume   147.44
_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  0.09  1.0
  Ni  Ni1  3  0.0  0.0  0.0  1.0
  W  W2  3  0.0  0.0  0.64  1.0

Zn Ni W
Zn Ni W 0 1 + + + 0 2 + + o 0 2 + o + 0 2 o + + 1 2 o o - 1 2 o - o 1 2 - o o 
NiWZn crystallizes in the trigonal R3m space group. W(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1) and six equivalent Zn(1) atoms. All W(1)-Ni(1) bond lengths are 2.39 Å. There are three shorter (2.67 Å) and three longer (3.20 Å) W(1)-Zn(1) bond lengths. Ni(1) is bonded in a single-bond geometry to three equivalent W(1) and one Zn(1) atom. The Ni(1)-Zn(1) bond length is 0.93 Å. Zn(1) is bonded in a single-bond geometry to six equivalent W(1) and one Ni(1) atom.