data_AsOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   152.09
_cell_angle_beta   137.05
_cell_angle_gamma   52.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsOs2Br
_chemical_formula_sum   'As1 Os2 Br1'
_cell_volume   68.98
_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
  As  As0  1  0.0  0.0  0.04  1.0
  Os  Os2  1  0.0  0.0  0.37  1.0
  Os  Os3  1  0.45  0.0  0.55  1.0
  Br  Br1  1  0.0  0.2  0.84  1.0

data_AsOs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.4
_cell_length_c   6.01
_cell_angle_alpha   111.48
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsOs2Br
_chemical_formula_sum   'As1 Os2 Br1'
_cell_volume   68.98
_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
  As  As0  1  0.96  0.96  0.96  1.0
  Os  Os1  1  0.63  0.63  0.63  1.0
  Os  Os2  1  0.9  0.45  0.9  1.0
  Br  Br3  1  0.16  0.36  0.36  1.0

As Os Os Br
As Os Os Br 0 3 o o - 0 2 - o - 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 
Os2AsBr crystallizes in the triclinic P1 space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 1-coordinate geometry to one Os(2), one As(1), and two equivalent Br(1) atoms. The Os(1)-Os(2) bond length is 2.04 Å. The Os(1)-As(1) bond length is 1.97 Å. There is one shorter (1.88 Å) and one longer (2.50 Å) Os(1)-Br(1) bond length. In the second Os site, Os(2) is bonded in a 4-coordinate geometry to one Os(1), two equivalent As(1), and one Br(1) atom. There is one shorter (2.15 Å) and one longer (2.31 Å) Os(2)-As(1) bond length. The Os(2)-Br(1) bond length is 2.86 Å. As(1) is bonded in a 4-coordinate geometry to one Os(1), two equivalent Os(2), and one Br(1) atom. The As(1)-Br(1) bond length is 2.32 Å. Br(1) is bonded in a 4-coordinate geometry to one Os(2), two equivalent Os(1), and one As(1) atom.