data_HgOs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   19.43
_cell_angle_beta   19.43
_cell_angle_gamma   19.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs2Se
_chemical_formula_sum   'Hg1 Os2 Se1'
_cell_volume   65.53
_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  0.0  0.92  1.0
  Os  Os1  1  0.0  0.0  0.7  1.0
  Os  Os2  1  0.0  0.0  0.13  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_HgOs2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   2.96
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgOs2Se
_chemical_formula_sum   'Hg2 Os4 Se2'
_cell_volume   131.06
_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  -0.0  0.0  0.08  1.0
  Os  Os1  2  -0.0  0.0  0.87  1.0
  Os  Os2  2  -0.0  0.0  0.3  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Hg Os Os Se
Hg Os Os Se 0 3 o o + 0 1 o o o 2 3 o o o 
Os2HgSe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Os2HgSe clusters. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Hg(1) atom. The Os(1)-Hg(1) bond length is 1.90 Å. In the second Os site, Os(2) is bonded in a single-bond geometry to one Se(1) atom. The Os(2)-Se(1) bond length is 1.18 Å. Hg(1) is bonded in a single-bond geometry to one Os(1) and one Se(1) atom. The Hg(1)-Se(1) bond length is 0.71 Å. Se(1) is bonded in a linear geometry to one Os(2) and one Hg(1) atom.