data_ZnNi4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi4W
_chemical_formula_sum   'Zn1 Ni4 W1'
_cell_volume   72.58
_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  0.14  0.14  0.48  1.0
  Ni  Ni1  1  0.14  0.48  0.14  1.0
  Ni  Ni2  1  0.48  0.14  0.14  1.0
  Ni  Ni3  1  0.48  0.48  0.48  1.0
  W  W4  1  0.97  0.97  0.97  1.0

data_ZnNi4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   11.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnNi4W
_chemical_formula_sum   'Zn3 Ni12 W3'
_cell_volume   217.74
_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  0.1  0.55  0.41  1.0
  Ni  Ni2  3  0.0  0.0  0.52  1.0
  W  W3  3  0.0  0.0  0.03  1.0

Zn Ni Ni Ni Ni W
Zn Ni Ni Ni Ni W 0 5 - - - 0 4 o o - 0 4 o - o 0 4 - o o 1 5 - - 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 5 - o - 2 3 o o o 2 4 o o o 2 4 o o - 2 4 - o o 3 5 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 - 
WNi4Zn crystallizes in the trigonal R3m space group. W(1) is bonded in a single-bond geometry to three equivalent Ni(1) and one Zn(1) atom. All W(1)-Ni(1) bond lengths are 1.84 Å. The W(1)-Zn(1) bond length is 0.39 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one W(1), two equivalent Ni(1), and three equivalent Ni(2) atoms. Both Ni(1)-Ni(1) bond lengths are 1.63 Å. There are two shorter (2.65 Å) and one longer (2.82 Å) Ni(1)-Ni(2) bond length. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to nine equivalent Ni(1) atoms. Zn(1) is bonded in a single-bond geometry to one W(1) atom.