data_PtW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtW2Br
_chemical_formula_sum   'Pt1 W2 Br1'
_cell_volume   73.64
_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
  Pt  Pt1  1  0.59  0.59  0.81  1.0
  W  W2  1  0.0  0.0  0.09  1.0
  W  W3  1  0.59  0.59  0.54  1.0
  Br  Br0  1  0.0  0.0  0.55  1.0

data_PtW2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PtW2Br
_chemical_formula_sum   'Pt2 W4 Br2'
_cell_volume   147.28
_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
  Pt  Pt0  2  0.09  0.5  0.81  1.0
  W  W1  2  0.0  0.0  0.09  1.0
  W  W2  2  0.09  0.5  0.54  1.0
  Br  Br3  2  0.0  0.0  0.55  1.0

Pt W W Br
W2PtBr crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 9-coordinate geometry to four equivalent W(1), four equivalent Pt(1), and one Br(1) atom. All W(1)-W(1) bond lengths are 3.17 Å. There are a spread of W(1)-Pt(1) bond distances ranging from 2.79-3.35 Å. The W(1)-Br(1) bond length is 3.34 Å. In the second W site, W(2) is bonded to one Pt(1) and four equivalent Br(1) atoms to form a mixture of distorted corner and edge-sharing WPtBr4 square pyramids. The W(2)-Pt(1) bond length is 2.00 Å. There are a spread of W(2)-Br(1) bond distances ranging from 1.86-2.62 Å. Pt(1) is bonded in a distorted single-bond geometry to one W(2) and four equivalent W(1) atoms. Br(1) is bonded in a 3-coordinate geometry to one W(1) and four equivalent W(2) atoms.