data_Nb2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TeOs
_chemical_formula_sum   'Nb2 Te1 Os1'
_cell_volume   74.82
_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  0.69  0.69  0.54  1.0
  Nb  Nb1  1  0.0  0.0  0.8  1.0
  Te  Te3  1  0.0  0.0  0.07  1.0
  Os  Os2  1  0.69  0.69  0.03  1.0

data_Nb2TeOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2TeOs
_chemical_formula_sum   'Nb4 Te2 Os2'
_cell_volume   149.64
_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  0.0  0.0  0.8  1.0
  Nb  Nb1  2  0.19  0.5  0.54  1.0
  Te  Te2  2  0.0  0.0  0.07  1.0
  Os  Os3  2  0.19  0.5  0.03  1.0

Nb Nb Te Os
Nb Nb Te Os 0 1 + + o 1 3 - - + 1 2 o o + 2 3 - - o 
Nb2OsTe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Nb2OsTe clusters. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 1-coordinate geometry to one Nb(2) atom. The Nb(1)-Nb(2) bond length is 2.25 Å. In the second Nb site, Nb(2) is bonded in a 1-coordinate geometry to one Nb(1), one Os(1), and one Te(1) atom. The Nb(2)-Os(1) bond length is 2.13 Å. The Nb(2)-Te(1) bond length is 1.80 Å. Os(1) is bonded in a 2-coordinate geometry to one Nb(2) and one Te(1) atom. The Os(1)-Te(1) bond length is 1.52 Å. Te(1) is bonded in a 2-coordinate geometry to one Nb(2) and one Os(1) atom.