data_Na2TlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   4.63
_cell_angle_alpha   111.97
_cell_angle_beta   111.97
_cell_angle_gamma   32.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlRu
_chemical_formula_sum   'Na2 Tl1 Ru1'
_cell_volume   82.51
_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  0.06  0.0  0.01  1.0
  Na  Na1  1  0.67  0.0  0.26  1.0
  Tl  Tl3  1  0.86  0.0  0.13  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Na2TlRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.63
_cell_length_c   6.0
_cell_angle_alpha   111.97
_cell_angle_beta   106.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlRu
_chemical_formula_sum   'Na2 Tl1 Ru1'
_cell_volume   82.51
_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  0.0  0.01  0.06  1.0
  Na  Na1  1  0.0  0.26  0.67  1.0
  Tl  Tl2  1  0.0  0.13  0.86  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Na Na Tl Ru
Na Na Tl Ru 0 3 o o o 1 2 o o o 2 3 + o o 
Na2RuTl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Na2RuTl cluster. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one Ru(1) atom. The Na(1)-Ru(1) bond length is 0.34 Å. In the second Na site, Na(2) is bonded in a single-bond geometry to one Tl(1) atom. The Na(2)-Tl(1) bond length is 1.48 Å. Ru(1) is bonded in a distorted single-bond geometry to one Na(1) and one Tl(1) atom. The Ru(1)-Tl(1) bond length is 1.19 Å. Tl(1) is bonded in a linear geometry to one Na(2) and one Ru(1) atom.