data_HgOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOsBr2
_chemical_formula_sum   'Hg1 Os1 Br2'
_cell_volume   83.21
_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
  Hg  Hg2  1  0.54  0.54  0.0  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.54  0.62  1.0
  Br  Br1  1  0.54  0.0  0.62  1.0

data_HgOsBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgOsBr2
_chemical_formula_sum   'Hg2 Os2 Br4'
_cell_volume   166.41
_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
  Hg  Hg0  2  0.04  0.5  0.0  1.0
  Os  Os1  2  0.0  0.0  0.0  1.0
  Br  Br2  4  0.27  0.27  0.62  1.0

Hg Os Br Br
Hg Os Br Br 0 2 o o - 0 2 o o o 0 2 + o - 0 2 + o o 0 3 o o - 0 3 o o o 0 3 o + - 0 3 o + o 0 0 o o + 0 1 + + o 1 3 - o - 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o - - 1 2 o - o 1 2 o o - 1 2 o o o 1 1 o o + 2 3 - + o 2 2 o o + 3 3 o o + 
OsHgBr2 crystallizes in the monoclinic Cm space group. Os(1) is bonded in a 6-coordinate geometry to six equivalent Br(1) atoms. There are a spread of Os(1)-Br(1) bond distances ranging from 2.66-3.08 Å. Hg(1) is bonded in a 6-coordinate geometry to six equivalent Br(1) atoms. There are a spread of Hg(1)-Br(1) bond distances ranging from 2.66-3.08 Å. Br(1) is bonded in a 6-coordinate geometry to three equivalent Os(1) and three equivalent Hg(1) atoms.