data_Nb2InOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InOs
_chemical_formula_sum   'Nb2 In1 Os1'
_cell_volume   72.75
_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  Nb1  1  0.5  0.5  0.32  1.0
  Nb  Nb2  1  0.5  0.5  0.79  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.05  1.0

data_Nb2InOs
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Nb2InOs
_chemical_formula_sum   'Nb2 In1 Os1'
_cell_volume   72.75
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.5  0.5  0.32  1.0
  Nb  Nb1  1  0.5  0.5  0.79  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.05  1.0

Nb Nb In Os
Nb2OsIn crystallizes in the monoclinic Cm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 9-coordinate geometry to one Nb(2), four equivalent Nb(1), and four equivalent Os(1) atoms. The Nb(1)-Nb(2) bond length is 3.86 Å. All Nb(1)-Nb(1) bond lengths are 3.00 Å. There are a spread of Nb(1)-Os(1) bond distances ranging from 2.99-3.01 Å. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to one Nb(1) and four equivalent In(1) atoms. There are three shorter (2.70 Å) and one longer (2.71 Å) Nb(2)-In(1) bond length. Os(1) is bonded in a single-bond geometry to four equivalent Nb(1) and one In(1) atom. The Os(1)-In(1) bond length is 0.44 Å. In(1) is bonded in a single-bond geometry to four equivalent Nb(2) and one Os(1) atom.