data_MgTlRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.28
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlRh2
_chemical_formula_sum   'Mg1 Tl1 Rh2'
_cell_volume   66.29
_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  0.95  0.0  0.16  1.0
  Rh  Rh1  1  0.57  0.64  0.51  1.0
  Rh  Rh2  1  0.53  0.64  0.8  1.0

data_MgTlRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.28
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlRh2
_chemical_formula_sum   'Mg1 Tl1 Rh2'
_cell_volume   66.29
_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  Tl1  1  0.95  0.0  0.16  1.0
  Rh  Rh2  1  0.53  0.64  0.8  1.0
  Rh  Rh3  1  0.57  0.64  0.51  1.0

Mg Tl Rh Rh
Mg Tl Rh Rh 0 1 - o o 2 3 o o o 
MgRh2Tl crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 1-coordinate geometry to four equivalent Rh(2) and one Tl(1) atom. There are a spread of Mg(1)-Rh(2) bond distances ranging from 2.28-2.99 Å. The Mg(1)-Tl(1) bond length is 1.01 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 2-coordinate geometry to one Rh(2) and one Tl(1) atom. The Rh(1)-Rh(2) bond length is 1.81 Å. The Rh(1)-Tl(1) bond length is 2.83 Å. In the second Rh site, Rh(2) is bonded in a 5-coordinate geometry to four equivalent Mg(1) and one Rh(1) atom. Tl(1) is bonded in a single-bond geometry to one Mg(1) and one Rh(1) atom.