data_MgTlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlRu2
_chemical_formula_sum   'Mg1 Tl1 Ru2'
_cell_volume   67.21
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.08  1.0
  Ru  Ru1  1  0.65  0.65  0.41  1.0
  Ru  Ru2  1  0.65  0.65  0.75  1.0

data_MgTlRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTlRu2
_chemical_formula_sum   'Mg2 Tl2 Ru4'
_cell_volume   134.43
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.08  1.0
  Ru  Ru2  2  0.15  0.5  0.41  1.0
  Ru  Ru3  2  0.15  0.5  0.75  1.0

Mg Tl Ru Ru
MgRu2Tl crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted single-bond geometry to one Ru(2) and one Tl(1) atom. The Mg(1)-Ru(2) bond length is 2.25 Å. The Mg(1)-Tl(1) bond length is 0.47 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 4-coordinate geometry to one Ru(2) and three equivalent Tl(1) atoms. The Ru(1)-Ru(2) bond length is 2.10 Å. There is one shorter (2.60 Å) and two longer (3.17 Å) Ru(1)-Tl(1) bond lengths. In the second Ru site, Ru(2) is bonded in a distorted single-bond geometry to one Mg(1) and one Ru(1) atom. Tl(1) is bonded in a single-bond geometry to one Mg(1) and three equivalent Ru(1) atoms.