data_ZrNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiOs2
_chemical_formula_sum   'Zr1 Ni1 Os2'
_cell_volume   61.42
_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
  Zr  Zr3  1  0.63  0.63  1.0  1.0
  Ni  Ni0  1  0.0  0.0  0.49  1.0
  Os  Os1  1  0.63  0.63  0.72  1.0
  Os  Os2  1  0.0  0.0  0.3  1.0

data_ZrNiOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrNiOs2
_chemical_formula_sum   'Zr2 Ni2 Os4'
_cell_volume   122.84
_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
  Zr  Zr0  2  0.13  0.5  1.0  1.0
  Ni  Ni1  2  0.0  0.0  0.49  1.0
  Os  Os2  2  0.0  0.0  0.3  1.0
  Os  Os3  2  0.13  0.5  0.72  1.0

Zr Ni Os Os
Zr Ni Os Os 0 2 o o o 1 3 o o o 
OsZrNiOs is High Pressure Cadmuum Telluride structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NiOs clusters and two OsZr clusters. In each NiOs cluster, Os(2) is bonded in a 1-coordinate geometry to one Ni(1) atom. The Os(2)-Ni(1) bond length is 1.10 Å. Ni(1) is bonded in a distorted single-bond geometry to one Os(2) atom. In each OsZr cluster, Zr(1) is bonded in a 1-coordinate geometry to one Os(1) atom. The Zr(1)-Os(1) bond length is 1.60 Å. Os(1) is bonded in a 1-coordinate geometry to one Zr(1) atom.