data_Ni2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2RuW
_chemical_formula_sum   'Ni2 Ru1 W1'
_cell_volume   52.17
_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  0.08  1.0
  Ni  Ni1  1  0.35  0.35  0.73  1.0
  Ru  Ru2  1  0.0  0.0  0.48  1.0
  W  W3  1  0.35  0.35  0.48  1.0

data_Ni2RuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2RuW
_chemical_formula_sum   'Ni4 Ru2 W2'
_cell_volume   104.35
_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  0.08  1.0
  Ni  Ni1  2  0.35  0.0  0.73  1.0
  Ru  Ru2  2  0.0  0.0  0.48  1.0
  W  W3  2  0.35  0.0  0.48  1.0

Ni Ni Ru W
Ni Ni Ru W 0 1 - o - 0 1 o - - 0 1 o o - 0 0 + o o 0 0 o + o 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 
WRuNi2 crystallizes in the monoclinic Cm space group. W(1) is bonded in a 4-coordinate geometry to three equivalent Ru(1), one Ni(1), and one Ni(2) atom. There is one shorter (1.33 Å) and two longer (1.99 Å) W(1)-Ru(1) bond lengths. The W(1)-Ni(1) bond length is 3.18 Å. The W(1)-Ni(2) bond length is 1.81 Å. Ru(1) is bonded in a 1-coordinate geometry to three equivalent W(1) and one Ni(1) atom. The Ru(1)-Ni(1) bond length is 2.83 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one W(1), one Ru(1), one Ni(2), and four equivalent Ni(1) atoms. The Ni(1)-Ni(2) bond length is 2.82 Å. All Ni(1)-Ni(1) bond lengths are 2.70 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one W(1) and one Ni(1) atom.