data_BaRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRuW2
_chemical_formula_sum   'Ba1 Ru1 W2'
_cell_volume   85.6
_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
  Ba  Ba0  1  0.61  0.61  0.15  1.0
  Ru  Ru1  1  0.0  0.0  0.82  1.0
  W  W2  1  0.61  0.61  0.16  1.0
  W  W3  1  0.0  0.0  0.41  1.0

data_BaRuW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaRuW2
_chemical_formula_sum   'Ba2 Ru2 W4'
_cell_volume   171.21
_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
  Ba  Ba0  2  0.11  0.5  0.15  1.0
  Ru  Ru1  2  0.0  0.0  0.82  1.0
  W  W2  2  0.0  0.0  0.41  1.0
  W  W3  2  0.11  0.5  0.16  1.0

Ba Ru W W
BaW2Ru crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a single-bond geometry to one W(1) and four equivalent Ru(1) atoms. The Ba(1)-W(1) bond length is 0.07 Å. There are a spread of Ba(1)-Ru(1) bond distances ranging from 3.26-3.92 Å. There are three inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to one Ba(1) and four W(2,2) atoms. There are a spread of W(1)-W(2,2) bond distances ranging from 2.69-3.46 Å. In the second W site, W(2) is bonded in a 9-coordinate geometry to four equivalent W(1), four equivalent W(2), and one Ru(1) atom. All W(2)-W(2) bond lengths are 3.23 Å. The W(2)-Ru(1) bond length is 3.38 Å. In the third W site, W(2) is bonded in a 9-coordinate geometry to four equivalent W(1), four equivalent W(2), and one Ru(1) atom. The W(2)-Ru(1) bond length is 3.38 Å. Ru(1) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one W(2), and four equivalent Ru(1) atoms. All Ru(1)-Ru(1) bond lengths are 3.23 Å.