data_Mg3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   8.66
_cell_angle_alpha   152.19
_cell_angle_beta   152.19
_cell_angle_gamma   39.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Rh
_chemical_formula_sum   'Mg6 Rh2'
_cell_volume   141.27
_cell_formula_units_Z   2
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  0.08  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.05  1.0
  Mg  Mg2  1  0.0  0.0  0.25  1.0
  Mg  Mg3  1  0.0  0.08  0.07  1.0
  Mg  Mg4  1  0.08  0.0  0.07  1.0
  Mg  Mg5  1  0.08  0.0  0.0  1.0
  Rh  Rh6  1  0.0  0.0  0.09  1.0
  Rh  Rh7  1  0.0  0.0  0.21  1.0

data_Mg3Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   109.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg3Rh
_chemical_formula_sum   'Mg12 Rh4'
_cell_volume   282.54
_cell_formula_units_Z   4
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  4  0.04  0.04  0.01  1.0
  Mg  Mg1  4  0.04  0.04  0.08  1.0
  Mg  Mg2  2  0.0  0.0  0.75  1.0
  Mg  Mg3  2  0.0  0.0  0.95  1.0
  Rh  Rh4  2  0.0  0.0  0.79  1.0
  Rh  Rh5  2  0.0  0.0  0.91  1.0

Mg Mg Mg Mg Mg Mg Rh Rh
Mg Mg Mg Mg Mg Mg Rh Rh 0 5 o o o 1 6 o o o 1 3 o o o 1 4 o o o 2 7 o o o 3 4 o o o 
Mg5RhMgRh is Cubic alpha N2-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two magnesium--rhodium (1/1) molecules and two Mg5Rh clusters. In each Mg5Rh cluster, there are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an L-shaped geometry to one Mg(1) and one Mg(4) atom. The Mg(1)-Mg(1) bond length is 0.48 Å. The Mg(1)-Mg(4) bond length is 0.64 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to two equivalent Mg(4) and one Rh(1) atom. Both Mg(2)-Mg(4) bond lengths are 0.50 Å. The Mg(2)-Rh(1) bond length is 0.36 Å. In the third Mg site, Mg(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one Mg(4) atom. The Mg(4)-Mg(4) bond length is 0.48 Å. Rh(1) is bonded in a single-bond geometry to one Mg(2) atom.