data_SrNb2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.82
_cell_angle_alpha   99.93
_cell_angle_beta   99.93
_cell_angle_gamma   32.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Tl
_chemical_formula_sum   'Sr1 Nb2 Tl1'
_cell_volume   104.14
_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
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.85  0.0  0.78  1.0
  Nb  Nb1  1  0.25  0.0  0.94  1.0
  Tl  Tl3  1  0.05  0.0  0.86  1.0

data_SrNb2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.81
_cell_length_c   5.82
_cell_angle_alpha   99.93
_cell_angle_beta   90.0
_cell_angle_gamma   106.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Tl
_chemical_formula_sum   'Sr1 Nb2 Tl1'
_cell_volume   104.14
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.15  0.22  1.0
  Nb  Nb2  1  0.0  0.75  0.06  1.0
  Tl  Tl3  1  0.0  0.95  0.14  1.0

Sr Nb Nb Tl
SrNb2Tl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrNb2Tl cluster. Sr(1) is bonded in a single-bond geometry to one Nb(1), one Nb(2), and one Tl(1) atom. The Sr(1)-Nb(1) bond length is 1.41 Å. The Sr(1)-Nb(2) bond length is 1.55 Å. The Sr(1)-Tl(1) bond length is 0.90 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Tl(1) atom. The Nb(1)-Tl(1) bond length is 1.18 Å. In the second Nb site, Nb(2) is bonded in a 2-coordinate geometry to one Sr(1) and one Tl(1) atom. The Nb(2)-Tl(1) bond length is 1.18 Å. Tl(1) is bonded in a single-bond geometry to one Sr(1), one Nb(1), and one Nb(2) atom.