data_Zr2Ru2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39
_cell_length_b   8.39
_cell_length_c   8.39
_cell_angle_alpha   156.27
_cell_angle_beta   156.27
_cell_angle_gamma   33.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ru2W
_chemical_formula_sum   'Zr2 Ru2 W1'
_cell_volume   95.7
_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
  Zr  Zr3  1  0.0  0.0  0.64  1.0
  Zr  Zr4  1  0.0  0.0  0.42  1.0
  Ru  Ru0  1  0.0  0.73  0.02  1.0
  Ru  Ru1  1  0.73  0.0  0.02  1.0
  W  W2  1  0.0  0.0  0.0  1.0

data_Zr2Ru2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2Ru2W
_chemical_formula_sum   'Zr4 Ru4 W2'
_cell_volume   191.4
_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
  Zr  Zr0  2  0.0  0.0  0.36  1.0
  Zr  Zr1  2  0.0  0.0  0.58  1.0
  Ru  Ru2  4  0.36  0.64  0.71  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Zr Zr Ru Ru W
Zr2WRu2 crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a linear geometry to one Zr(2) and one W(1) atom. The Zr(1)-Zr(2) bond length is 1.85 Å. The Zr(1)-W(1) bond length is 3.01 Å. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Zr(1) and four equivalent Ru(1) atoms. There are two shorter (1.60 Å) and two longer (2.52 Å) Zr(2)-Ru(1) bond lengths. W(1) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Ru(1) atoms. Both W(1)-Ru(1) bond lengths are 2.42 Å. Ru(1) is bonded in a 1-coordinate geometry to two equivalent Zr(2) and one W(1) atom.