data_AgOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgOs2Br
_chemical_formula_sum   'Ag1 Os2 Br1'
_cell_volume   71.72
_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
  Ag  Ag0  1  0.47  0.47  0.84  1.0
  Os  Os2  1  0.47  0.47  0.25  1.0
  Os  Os3  1  0.0  0.0  0.78  1.0
  Br  Br1  1  0.0  0.0  0.55  1.0

data_AgOs2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgOs2Br
_chemical_formula_sum   'Ag2 Os4 Br2'
_cell_volume   143.43
_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
  Ag  Ag0  2  0.47  0.0  0.84  1.0
  Os  Os1  2  0.0  0.0  0.78  1.0
  Os  Os2  2  0.47  0.0  0.25  1.0
  Br  Br3  2  0.0  0.0  0.55  1.0

Ag Os Os Br
Ag Os Os Br 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 1 o o + 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 2 3 o o o 
Os2AgBr crystallizes in the monoclinic Cm space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 9-coordinate geometry to four equivalent Os(1), one Ag(1), and four equivalent Br(1) atoms. All Os(1)-Os(1) bond lengths are 2.94 Å. The Os(1)-Ag(1) bond length is 3.39 Å. There are a spread of Os(1)-Br(1) bond distances ranging from 3.19-3.34 Å. In the second Os site, Os(2) is bonded in a 5-coordinate geometry to four equivalent Ag(1) and one Br(1) atom. There are a spread of Os(2)-Ag(1) bond distances ranging from 2.02-2.25 Å. The Os(2)-Br(1) bond length is 1.89 Å. Ag(1) is bonded in a 4-coordinate geometry to one Os(1) and four equivalent Os(2) atoms. Br(1) is bonded in a single-bond geometry to one Os(2) and four equivalent Os(1) atoms.