data_YNbTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbTl2
_chemical_formula_sum   'Y1 Nb1 Tl2'
_cell_volume   94.04
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.25  0.0  0.0  1.0
  Tl  Tl1  1  0.62  0.79  0.64  1.0
  Tl  Tl2  1  0.62  0.21  0.64  1.0

data_YNbTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   107.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbTl2
_chemical_formula_sum   'Y1 Nb1 Tl2'
_cell_volume   94.04
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.25  0.0  1.0
  Tl  Tl2  1  0.64  0.62  0.21  1.0
  Tl  Tl3  1  0.64  0.62  0.79  1.0

Y Nb Tl Tl
YNbTl2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a 1-coordinate geometry to one Nb(1), one Tl(1), and two equivalent Tl(2) atoms. The Y(1)-Nb(1) bond length is 1.36 Å. The Y(1)-Tl(1) bond length is 2.35 Å. There is one shorter (2.88 Å) and one longer (3.36 Å) Y(1)-Tl(2) bond length. Nb(1) is bonded in a distorted single-bond geometry to one Y(1) and two equivalent Tl(2) atoms. There is one shorter (2.35 Å) and one longer (2.92 Å) Nb(1)-Tl(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Y(1) and two equivalent Tl(2) atoms. There is one shorter (2.26 Å) and one longer (3.22 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Nb(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. Both Tl(2)-Tl(2) bond lengths are 3.28 Å.