data_ZrReOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReOs
_chemical_formula_sum   'Zr1 Re1 Os1'
_cell_volume   50.32
_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  Zr2  1  0.0  0.0  0.89  1.0
  Re  Re1  1  0.0  0.61  0.92  1.0
  Os  Os0  1  0.26  0.3  0.04  1.0

data_ZrReOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrReOs
_chemical_formula_sum   'Zr1 Re1 Os1'
_cell_volume   50.32
_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  Zr0  1  0.89  0.0  0.0  1.0
  Re  Re1  1  0.92  0.0  0.61  1.0
  Os  Os2  1  0.04  0.26  0.3  1.0

Zr Re Os
Zr Re Os 0 2 o o + 0 1 o - o 
ZrReOs crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrReOs cluster. Zr(1) is bonded in a distorted bent 120 degrees geometry to one Re(1) and one Os(1) atom. The Zr(1)-Re(1) bond length is 1.77 Å. The Zr(1)-Os(1) bond length is 1.35 Å. Re(1) is bonded in a 1-coordinate geometry to one Zr(1) atom. Os(1) is bonded in a distorted single-bond geometry to one Zr(1) atom.