data_NbNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiOs2
_chemical_formula_sum   'Nb1 Ni1 Os2'
_cell_volume   57.32
_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
  Nb  Nb0  1  0.93  0.93  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.93  0.91  1.0
  Os  Os3  1  0.93  0.0  0.91  1.0

data_NbNiOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbNiOs2
_chemical_formula_sum   'Nb2 Ni2 Os4'
_cell_volume   114.64
_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
  Nb  Nb0  2  0.43  0.5  -0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Os  Os2  4  0.47  0.47  0.91  1.0

Nb Ni Os Os
Nb Ni Os Os 0 3 o + - 0 2 + o - 0 1 + + o 1 3 - o - 1 2 o - - 2 3 - + o 
NbOs2Ni is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbOs2Ni clusters. Nb(1) is bonded in a 3-coordinate geometry to two equivalent Os(1) and one Ni(1) atom. Both Nb(1)-Os(1) bond lengths are 0.41 Å. The Nb(1)-Ni(1) bond length is 0.36 Å. Os(1) is bonded in a 3-coordinate geometry to one Nb(1), one Os(1), and one Ni(1) atom. The Os(1)-Os(1) bond length is 0.36 Å. The Os(1)-Ni(1) bond length is 0.41 Å. Ni(1) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Os(1) atoms.