data_Fe2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiOs
_chemical_formula_sum   'Fe2 Ni1 Os1'
_cell_volume   48.55
_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
  Fe  Fe0  1  0.31  0.31  0.39  1.0
  Fe  Fe1  1  0.31  0.31  0.72  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.55  1.0

data_Fe2NiOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2NiOs
_chemical_formula_sum   'Fe4 Ni2 Os2'
_cell_volume   97.1
_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
  Fe  Fe0  2  0.31  0.0  0.39  1.0
  Fe  Fe1  2  0.31  0.0  0.72  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  0.0  0.0  0.55  1.0

Fe Fe Ni Os
Fe Fe Ni Os 0 3 o o o 0 2 o o o 1 3 o o o 1 2 + o + 1 2 o + + 1 2 o o + 2 2 + o o 2 2 o + o 
OsFe2Ni crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two OsFe2Ni clusters. Os(1) is bonded in a distorted L-shaped geometry to one Fe(1) and one Fe(2) atom. The Os(1)-Fe(1) bond length is 1.62 Å. The Os(1)-Fe(2) bond length is 1.62 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Os(1) atom. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Os(1) and one Ni(1) atom. The Fe(2)-Ni(1) bond length is 2.32 Å. Ni(1) is bonded in a 1-coordinate geometry to one Fe(2) atom.