data_HgOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   151.6
_cell_angle_beta   131.8
_cell_angle_gamma   56.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs2Br
_chemical_formula_sum   'Hg1 Os2 Br1'
_cell_volume   73.99
_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  Hg1  1  0.46  0.0  0.49  1.0
  Os  Os2  1  0.0  0.0  0.07  1.0
  Os  Os3  1  0.0  0.43  0.77  1.0
  Br  Br0  1  0.0  0.0  0.57  1.0

data_HgOs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.85
_cell_length_c   5.94
_cell_angle_alpha   114.1
_cell_angle_beta   104.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs2Br
_chemical_formula_sum   'Hg1 Os2 Br1'
_cell_volume   73.99
_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  Hg0  1  0.0  0.49  0.04  1.0
  Os  Os1  1  0.0  0.07  0.07  1.0
  Os  Os2  1  0.57  0.34  0.34  1.0
  Br  Br3  1  0.0  0.57  0.57  1.0

Hg Os Os Br
Os2HgBr crystallizes in the triclinic P1 space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 5-coordinate geometry to two equivalent Os(2), two equivalent Hg(1), and one Br(1) atom. There is one shorter (2.01 Å) and one longer (2.26 Å) Os(1)-Os(2) bond length. There is one shorter (2.15 Å) and one longer (2.72 Å) Os(1)-Hg(1) bond length. The Os(1)-Br(1) bond length is 2.97 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to two equivalent Os(1), two equivalent Hg(1), and one Br(1) atom. There is one shorter (2.50 Å) and one longer (2.76 Å) Os(2)-Hg(1) bond length. The Os(2)-Br(1) bond length is 1.60 Å. Hg(1) is bonded in a 8-coordinate geometry to two equivalent Os(1), two equivalent Os(2), two equivalent Hg(1), and two equivalent Br(1) atoms. Both Hg(1)-Hg(1) bond lengths are 2.92 Å. There is one shorter (2.94 Å) and one longer (3.05 Å) Hg(1)-Br(1) bond length. Br(1) is bonded in a distorted single-bond geometry to one Os(1), one Os(2), and two equivalent Hg(1) atoms.