data_PdWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdWBr2
_chemical_formula_sum   'Pd1 W1 Br2'
_cell_volume   72.79
_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
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.55  1.0
  Br  Br0  1  0.6  0.6  0.16  1.0
  Br  Br1  1  0.6  0.6  0.95  1.0

data_PdWBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PdWBr2
_chemical_formula_sum   'Pd2 W2 Br4'
_cell_volume   145.59
_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
  Pd  Pd0  2  0.0  0.0  0.0  1.0
  W  W1  2  0.0  0.0  0.55  1.0
  Br  Br2  2  0.1  0.5  0.16  1.0
  Br  Br3  2  0.1  0.5  0.95  1.0

Pd W Br Br
WPdBr2 crystallizes in the monoclinic Cm space group. W(1) is bonded in a 7-coordinate geometry to four equivalent W(1), one Pd(1), one Br(1), and one Br(2) atom. All W(1)-W(1) bond lengths are 3.20 Å. The W(1)-Pd(1) bond length is 3.17 Å. The W(1)-Br(1) bond length is 3.32 Å. The W(1)-Br(2) bond length is 3.32 Å. Pd(1) is bonded in a 1-coordinate geometry to one W(1), three equivalent Br(2), and four equivalent Br(1) atoms. There is one shorter (1.85 Å) and two longer (2.34 Å) Pd(1)-Br(2) bond lengths. There are a spread of Pd(1)-Br(1) bond distances ranging from 2.15-2.95 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to one W(1), four equivalent Pd(1), and one Br(2) atom. The Br(1)-Br(2) bond length is 1.54 Å. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one W(1), three equivalent Pd(1), and one Br(1) atom.