data_OsW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_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   OsW2Br
_chemical_formula_sum   'Os1 W2 Br1'
_cell_volume   63.42
_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
  Os  Os1  1  0.0  0.0  0.56  1.0
  W  W2  1  0.49  0.49  0.31  1.0
  W  W3  1  0.49  0.49  0.81  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_OsW2Br
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   OsW2Br
_chemical_formula_sum   'Os1 W2 Br1'
_cell_volume   63.42
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Os  Os0  1  0.0  0.0  0.56  1.0
  W  W1  1  0.5  0.5  0.31  1.0
  W  W2  1  0.5  0.5  0.81  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Os W W Br
W2OsBr crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to four equivalent Os(1) and four equivalent Br(1) atoms to form a mixture of distorted edge and face-sharing WOs4Br4 cuboctahedra. There are a spread of W(1)-Os(1) bond distances ranging from 2.74-2.78 Å. There are a spread of W(1)-Br(1) bond distances ranging from 3.02-3.06 Å. In the second W site, W(2) is bonded in a 8-coordinate geometry to four equivalent Os(1) and four equivalent Br(1) atoms. There are a spread of W(2)-Os(1) bond distances ranging from 2.74-2.78 Å. There are a spread of W(2)-Br(1) bond distances ranging from 2.49-2.55 Å. Os(1) is bonded in a distorted body-centered cubic geometry to four equivalent W(1) and four equivalent W(2) atoms. Br(1) is bonded in a 8-coordinate geometry to four equivalent W(1) and four equivalent W(2) atoms.