data_NiRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   17.52
_cell_angle_beta   17.52
_cell_angle_gamma   17.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRuW2
_chemical_formula_sum   'Ni1 Ru1 W2'
_cell_volume   57.98
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.31  1.0
  W  W2  1  0.0  0.0  0.7  1.0
  W  W3  1  0.0  0.0  0.93  1.0

data_NiRuW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   2.75
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   100.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiRuW2
_chemical_formula_sum   'Ni2 Ru2 W4'
_cell_volume   115.96
_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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.0  0.0  0.69  1.0
  W  W2  2  0.0  0.0  0.07  1.0
  W  W3  2  0.0  0.0  0.3  1.0

Ni Ru W W
W2RuNi crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted single-bond geometry to one W(2) and one Ru(1) atom. The W(1)-W(2) bond length is 2.02 Å. The W(1)-Ru(1) bond length is 3.50 Å. In the second W site, W(2) is bonded in a single-bond geometry to one W(1) and one Ni(1) atom. The W(2)-Ni(1) bond length is 0.67 Å. Ru(1) is bonded to one W(1), six equivalent Ru(1), and one Ni(1) atom to form a mixture of distorted edge and corner-sharing RuNiRu6W hexagonal bipyramids. All Ru(1)-Ru(1) bond lengths are 2.75 Å. The Ru(1)-Ni(1) bond length is 2.83 Å. Ni(1) is bonded in a single-bond geometry to one W(2) and one Ru(1) atom.