data_Mg2TlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlRh
_chemical_formula_sum   'Mg2 Tl1 Rh1'
_cell_volume   78.77
_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  0.61  0.61  0.12  1.0
  Mg  Mg1  1  0.61  0.61  0.45  1.0
  Tl  Tl3  1  0.0  0.0  0.79  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Mg2TlRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2TlRh
_chemical_formula_sum   'Mg4 Tl2 Rh2'
_cell_volume   157.54
_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  0.11  0.5  0.12  1.0
  Mg  Mg1  2  0.11  0.5  0.45  1.0
  Tl  Tl2  2  0.0  0.0  0.79  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Mg Mg Tl Rh
Mg Mg Tl Rh 0 3 o + o 0 3 + o o 0 3 + + o 0 1 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 3 o o + 
Mg2RhTl crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 1-coordinate geometry to one Mg(2) and four equivalent Rh(1) atoms. The Mg(1)-Mg(2) bond length is 2.50 Å. There are a spread of Mg(1)-Rh(1) bond distances ranging from 1.99-2.94 Å. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one Mg(1), four equivalent Mg(2), and three equivalent Tl(1) atoms. All Mg(2)-Mg(2) bond lengths are 3.23 Å. There is one shorter (3.09 Å) and two longer (3.45 Å) Mg(2)-Tl(1) bond lengths. Rh(1) is bonded in a 5-coordinate geometry to four equivalent Mg(1) and one Tl(1) atom. The Rh(1)-Tl(1) bond length is 1.62 Å. Tl(1) is bonded in a single-bond geometry to three equivalent Mg(2) and one Rh(1) atom.