data_NbTl2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Os
_chemical_formula_sum   'Nb1 Tl2 Os1'
_cell_volume   79.42
_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  0.0  1.0
  Tl  Tl2  1  0.44  0.79  0.56  1.0
  Tl  Tl3  1  0.44  0.21  0.56  1.0
  Os  Os1  1  0.87  0.0  0.0  1.0

data_NbTl2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   113.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Os
_chemical_formula_sum   'Nb1 Tl2 Os1'
_cell_volume   79.42
_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  0.0  1.0
  Tl  Tl1  1  0.56  0.44  0.21  1.0
  Tl  Tl2  1  0.56  0.44  0.79  1.0
  Os  Os3  1  -0.0  0.87  0.0  1.0

Nb Tl Tl Os
NbOsTl2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a single-bond geometry to one Os(1) and two equivalent Tl(2) atoms. The Nb(1)-Os(1) bond length is 0.66 Å. There is one shorter (2.52 Å) and one longer (2.75 Å) Nb(1)-Tl(2) bond length. Os(1) is bonded in a single-bond geometry to one Nb(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. There is one shorter (2.52 Å) and one longer (2.75 Å) Os(1)-Tl(1) bond length. There is one shorter (3.23 Å) and one longer (3.42 Å) Os(1)-Tl(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to two equivalent Os(1) and two equivalent Tl(2) atoms. There is one shorter (2.20 Å) and one longer (3.07 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a 8-coordinate geometry to two equivalent Nb(1), two equivalent Os(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. Both Tl(2)-Tl(2) bond lengths are 3.13 Å.