data_Ru2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2WBr
_chemical_formula_sum   'Ru2 W1 Br1'
_cell_volume   62.88
_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
  Ru  Ru1  1  0.49  0.81  0.45  1.0
  Ru  Ru2  1  0.49  0.19  0.45  1.0
  W  W3  1  0.98  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ru2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   101.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2WBr
_chemical_formula_sum   'Ru2 W1 Br1'
_cell_volume   62.88
_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
  Ru  Ru0  1  0.45  0.49  0.19  1.0
  Ru  Ru1  1  0.45  0.49  0.81  1.0
  W  W2  1  0.0  0.98  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ru Ru W Br
WRu2Br crystallizes in the triclinic P1 space group. W(1) is bonded in a single-bond geometry to two equivalent Ru(1) and one Br(1) atom. There is one shorter (2.65 Å) and one longer (2.80 Å) W(1)-Ru(1) bond length. The W(1)-Br(1) bond length is 0.08 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to two equivalent W(1), two equivalent Ru(1), two equivalent Ru(2), and two equivalent Br(1) atoms. Both Ru(1)-Ru(1) bond lengths are 2.90 Å. There is one shorter (1.75 Å) and one longer (2.95 Å) Ru(1)-Ru(2) bond length. There is one shorter (2.93 Å) and one longer (3.07 Å) Ru(1)-Br(1) bond length. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to two equivalent Ru(1) and two equivalent Br(1) atoms. There is one shorter (2.65 Å) and one longer (2.80 Å) Ru(2)-Br(1) bond length. Br(1) is bonded in a single-bond geometry to one W(1), two equivalent Ru(1), and two equivalent Ru(2) atoms.