data_La2TlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlRu
_chemical_formula_sum   'La2 Tl1 Ru1'
_cell_volume   108.99
_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
  La  La0  1  0.76  0.76  0.04  1.0
  La  La1  1  0.76  0.76  0.76  1.0
  Tl  Tl3  1  0.0  0.0  0.4  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_La2TlRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TlRu
_chemical_formula_sum   'La4 Tl2 Ru2'
_cell_volume   217.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.26  0.5  0.04  1.0
  La  La1  2  0.26  0.5  0.76  1.0
  Tl  Tl2  2  0.0  0.0  0.4  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

La La Tl Ru
La La Tl Ru 0 3 + + o 0 1 o o - 0 2 + + o 1 3 + + + 1 2 + + o 2 2 + o o 2 2 o + o 2 3 o o o 
La2RuTl crystallizes in the monoclinic Cm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one Ru(1) and one Tl(1) atom. The La(1)-Ru(1) bond length is 1.24 Å. The La(1)-Tl(1) bond length is 3.42 Å. In the second La site, La(2) is bonded in a 1-coordinate geometry to one Ru(1) and one Tl(1) atom. The La(2)-Ru(1) bond length is 2.41 Å. The La(2)-Tl(1) bond length is 3.42 Å. Ru(1) is bonded in a single-bond geometry to one La(1), one La(2), and one Tl(1) atom. The Ru(1)-Tl(1) bond length is 3.51 Å. Tl(1) is bonded in a 7-coordinate geometry to one La(1), one La(2), one Ru(1), and four equivalent Tl(1) atoms. All Tl(1)-Tl(1) bond lengths are 3.52 Å.