data_BaHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.78
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   103.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHg2Os
_chemical_formula_sum   'Ba1 Hg2 Os1'
_cell_volume   103.13
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.75  0.39  0.93  1.0
  Hg  Hg2  1  0.09  0.39  0.49  1.0
  Os  Os3  1  0.92  0.0  0.21  1.0

data_BaHg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.78
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   103.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHg2Os
_chemical_formula_sum   'Ba1 Hg2 Os1'
_cell_volume   103.13
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.09  0.39  0.49  1.0
  Hg  Hg2  1  0.75  0.39  0.93  1.0
  Os  Os3  1  0.92  0.0  0.21  1.0

Ba Hg Hg Os
BaOsHg2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaOsHg2 cluster. Ba(1) is bonded in a 2-coordinate geometry to one Os(1) and one Hg(1) atom. The Ba(1)-Os(1) bond length is 1.46 Å. The Ba(1)-Hg(1) bond length is 2.04 Å. Os(1) is bonded in a single-bond geometry to one Ba(1) and one Hg(2) atom. The Os(1)-Hg(2) bond length is 2.57 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Os(1) atom.