data_ZrAlOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.85
_cell_angle_alpha   103.52
_cell_angle_beta   103.52
_cell_angle_gamma   113.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlOs2
_chemical_formula_sum   'Zr1 Al1 Os2'
_cell_volume   64.33
_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  0.86  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.82  0.18  0.29  1.0
  Os  Os2  1  0.82  0.82  0.29  1.0

data_ZrAlOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.2
_cell_length_c   5.21
_cell_angle_alpha   118.48
_cell_angle_beta   103.52
_cell_angle_gamma   94.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlOs2
_chemical_formula_sum   'Zr1 Al1 Os2'
_cell_volume   64.33
_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  0.0  0.0  0.86  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.12  0.82  0.65  1.0
  Os  Os3  1  0.47  0.18  1.0  1.0

Zr Al Os Os
Zr Al Os Os 0 1 + o o 0 2 o o o 0 3 o - o 1 3 - - o 
ZrOs2Al crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrOs2Al cluster. Zr(1) is bonded in a 1-coordinate geometry to one Os(1), one Os(2), and one Al(1) atom. The Zr(1)-Os(1) bond length is 1.20 Å. The Zr(1)-Os(2) bond length is 1.36 Å. The Zr(1)-Al(1) bond length is 0.72 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Os site, Os(2) is bonded in a 1-coordinate geometry to one Zr(1) atom. Al(1) is bonded in a single-bond geometry to one Zr(1) atom.