data_Nb2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   9.17
_cell_angle_alpha   19.28
_cell_angle_beta   19.28
_cell_angle_gamma   19.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TeOs
_chemical_formula_sum   'Nb2 Te1 Os1'
_cell_volume   73.38
_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  0.0  0.0  0.61  1.0
  Nb  Nb1  1  0.0  0.0  0.36  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.49  1.0

data_Nb2TeOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   3.07
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   101.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2TeOs
_chemical_formula_sum   'Nb4 Te2 Os2'
_cell_volume   146.77
_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  0.39  1.0
  Nb  Nb1  2  0.0  0.0  0.64  1.0
  Te  Te2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  0.0  0.0  0.51  1.0

Nb Nb Te Os
Nb Nb Te Os 0 3 o o o 0 2 o o + 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
Nb2OsTe crystallizes in the monoclinic Cm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Os(1) and one Te(1) atom. The Nb(1)-Os(1) bond length is 1.15 Å. The Nb(1)-Te(1) bond length is 3.54 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Os(1) and one Te(1) atom. The Nb(2)-Os(1) bond length is 1.15 Å. The Nb(2)-Te(1) bond length is 3.32 Å. Os(1) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Nb(1); one Nb(2); and six Te(1,1) atoms to form a mixture of distorted corner and edge-sharing TeNb2Te6 hexagonal bipyramids. All Te(1)-Te(1,1) bond lengths are 3.07 Å. In the second Te site, Te(1) is bonded to one Nb(1); one Nb(2); and six Te(1,1) atoms to form a mixture of distorted corner and edge-sharing TeNb2Te6 hexagonal bipyramids. The Te(1)-Nb(1) bond length is 3.54 Å. The Te(1)-Nb(2) bond length is 3.32 Å. Both Te(1)-Te(1) bond lengths are 3.07 Å.