data_Cu2NiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiW
_chemical_formula_sum   'Cu2 Ni1 W1'
_cell_volume   51.53
_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  0.76  0.0  0.09  1.0
  Cu  Cu1  1  0.0  0.76  0.09  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.76  0.76  0.0  1.0

data_Cu2NiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2NiW
_chemical_formula_sum   'Cu4 Ni2 W2'
_cell_volume   103.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.38  0.38  0.09  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.26  0.5  0.0  1.0

Cu Cu Ni W
Cu Cu Ni W 0 3 o - o 0 2 + o o 1 3 - o o 1 2 o + o 
WNiCu2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two WNiCu2 clusters. W(1) is bonded in a distorted L-shaped geometry to two equivalent Cu(1) atoms. Both W(1)-Cu(1) bond lengths are 0.92 Å. Ni(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. Both Ni(1)-Cu(1) bond lengths are 0.92 Å. Cu(1) is bonded in a 2-coordinate geometry to one W(1) and one Ni(1) atom.