data_Na2TlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   4.72
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlSb
_chemical_formula_sum   'Na2 Tl1 Sb1'
_cell_volume   110.28
_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
  Na  Na0  1  0.68  0.36  0.36  1.0
  Na  Na1  1  0.68  0.36  0.59  1.0
  Tl  Tl3  1  0.0  0.0  0.47  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

data_Na2TlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.72
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlSb
_chemical_formula_sum   'Na2 Tl1 Sb1'
_cell_volume   110.28
_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
  Na  Na0  1  0.68  0.36  0.36  1.0
  Na  Na1  1  0.68  0.36  0.59  1.0
  Tl  Tl2  1  0.0  0.0  0.47  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Na Na Tl Sb
Na2TlSb crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one Na(2), three equivalent Tl(1), and one Sb(1) atom. The Na(1)-Na(2) bond length is 1.62 Å. There are a spread of Na(1)-Tl(1) bond distances ranging from 2.16-3.31 Å. The Na(1)-Sb(1) bond length is 3.17 Å. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to one Na(1), one Tl(1), and one Sb(1) atom. The Na(2)-Tl(1) bond length is 2.16 Å. The Na(2)-Sb(1) bond length is 3.48 Å. Tl(1) is bonded in a 2-coordinate geometry to one Na(2), three equivalent Na(1), and one Sb(1) atom. The Tl(1)-Sb(1) bond length is 3.28 Å. Sb(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Tl(1) atom.