data_CuNi4W
_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   CuNi4W
_chemical_formula_sum   'Cu1 Ni4 W1'
_cell_volume   70.32
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.46  0.1  0.46  1.0
  Ni  Ni2  1  0.1  0.46  0.46  1.0
  Ni  Ni3  1  0.1  0.1  0.1  1.0
  Ni  Ni4  1  0.46  0.46  0.1  1.0
  W  W5  1  0.64  0.64  0.64  1.0

data_CuNi4W
_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   CuNi4W
_chemical_formula_sum   'Cu3 Ni12 W3'
_cell_volume   210.95
_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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  Ni  Ni1  9  0.21  0.43  0.33  1.0
  Ni  Ni2  3  0.0  0.0  0.9  1.0
  W  W3  3  0.0  0.0  0.36  1.0

Cu Ni Ni Ni Ni W
WNi3NiCu is Halite, Rock Salt structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three NiCu clusters and three WNi3 clusters. In each NiCu cluster, Ni(2) is bonded in a single-bond geometry to one Cu(1) atom. The Ni(2)-Cu(1) bond length is 1.08 Å. Cu(1) is bonded in a single-bond geometry to one Ni(2) atom. In each WNi3 cluster, W(1) is bonded in a trigonal planar geometry to three equivalent Ni(1) atoms. All W(1)-Ni(1) bond lengths are 1.74 Å. Ni(1) is bonded in a distorted single-bond geometry to one W(1) atom.