data_ZrNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   132.38
_cell_angle_beta   132.38
_cell_angle_gamma   69.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2Os
_chemical_formula_sum   'Zr1 Ni2 Os1'
_cell_volume   57.65
_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  0.0  0.0  0.91  1.0
  Ni  Ni0  1  0.0  0.92  0.95  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.92  0.0  0.95  1.0

data_ZrNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   4.76
_cell_angle_alpha   113.81
_cell_angle_beta   113.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2Os
_chemical_formula_sum   'Zr1 Ni2 Os1'
_cell_volume   57.65
_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  0.91  0.91  0.91  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.03  0.95  0.03  1.0
  Os  Os3  1  0.95  0.03  0.03  1.0

Zr Ni Ni Os
Zr Ni Ni Os 0 2 o o + 1 2 o + + 2 3 - o - 
ZrOsNi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrOsNi2 cluster. Zr(1) is bonded in a distorted single-bond geometry to one Os(1), one Ni(1), and one Ni(2) atom. The Zr(1)-Os(1) bond length is 0.55 Å. The Zr(1)-Ni(1) bond length is 0.55 Å. The Zr(1)-Ni(2) bond length is 0.44 Å. Os(1) is bonded in a single-bond geometry to one Zr(1) and one Ni(2) atom. The Os(1)-Ni(2) bond length is 0.28 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 0.28 Å. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Zr(1), one Os(1), and one Ni(1) atom.