data_MgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95
_cell_length_b   7.81
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh
_chemical_formula_sum   'Mg12 Rh12'
_cell_volume   374.8
_cell_formula_units_Z   12
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  0.98  0.35  0.34  1.0
  Mg  Mg1  1  0.97  0.46  0.02  1.0
  Mg  Mg2  1  0.97  0.44  0.34  1.0
  Mg  Mg3  1  0.98  0.36  0.02  1.0
  Mg  Mg4  1  0.12  0.89  0.34  1.0
  Mg  Mg5  1  0.83  0.92  0.02  1.0
  Mg  Mg6  1  0.83  0.79  0.34  1.0
  Mg  Mg7  1  0.12  0.01  0.02  1.0
  Mg  Mg8  1  0.58  0.95  0.0  1.0
  Mg  Mg9  1  0.37  0.86  0.68  1.0
  Mg  Mg10  1  0.37  0.86  0.0  1.0
  Mg  Mg11  1  0.58  0.95  0.68  1.0
  Rh  Rh12  1  0.24  0.96  0.34  1.0
  Rh  Rh13  1  0.71  0.85  0.02  1.0
  Rh  Rh14  1  0.71  0.05  0.34  1.0
  Rh  Rh15  1  0.24  0.76  0.02  1.0
  Rh  Rh16  1  0.51  0.47  0.34  1.0
  Rh  Rh17  1  0.44  0.34  0.02  1.0
  Rh  Rh18  1  0.44  0.37  0.34  1.0
  Rh  Rh19  1  0.51  0.44  0.02  1.0
  Rh  Rh20  1  0.03  0.95  0.0  1.0
  Rh  Rh21  1  0.92  0.86  0.68  1.0
  Rh  Rh22  1  0.92  0.86  0.0  1.0
  Rh  Rh23  1  0.03  0.95  0.68  1.0

data_MgRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   7.81
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh
_chemical_formula_sum   'Mg12 Rh12'
_cell_volume   374.8
_cell_formula_units_Z   12
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  0.05  0.42  1.0
  Mg  Mg1  1  0.0  0.14  0.63  1.0
  Mg  Mg2  1  0.32  0.05  0.42  1.0
  Mg  Mg3  1  0.32  0.14  0.63  1.0
  Mg  Mg4  1  0.66  0.11  0.88  1.0
  Mg  Mg5  1  0.66  0.21  0.17  1.0
  Mg  Mg6  1  0.66  0.56  0.03  1.0
  Mg  Mg7  1  0.66  0.65  0.02  1.0
  Mg  Mg8  1  0.98  0.08  0.17  1.0
  Mg  Mg9  1  0.98  0.54  0.03  1.0
  Mg  Mg10  1  0.98  0.64  0.02  1.0
  Mg  Mg11  1  0.98  0.99  0.88  1.0
  Rh  Rh12  1  0.0  0.05  0.97  1.0
  Rh  Rh13  1  0.0  0.14  0.08  1.0
  Rh  Rh14  1  0.32  0.05  0.97  1.0
  Rh  Rh15  1  0.32  0.14  0.08  1.0
  Rh  Rh16  1  0.66  0.04  0.76  1.0
  Rh  Rh17  1  0.66  0.53  0.49  1.0
  Rh  Rh18  1  0.66  0.63  0.56  1.0
  Rh  Rh19  1  0.66  0.95  0.29  1.0
  Rh  Rh20  1  0.98  0.15  0.29  1.0
  Rh  Rh21  1  0.98  0.24  0.76  1.0
  Rh  Rh22  1  0.98  0.56  0.49  1.0
  Rh  Rh23  1  0.98  0.66  0.56  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh
Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh 0 2 o o o 1 3 o o o 4 12 o o o 5 22 o o o 5 6 o o o 5 13 o o o 5 14 o + o 6 13 o o o 6 14 o + o 6 22 o o o 6 21 o o o 7 20 o - o 8 13 o o o 8 11 o o - 8 14 o + o 9 10 o o + 9 11 o o o 10 15 o o o 11 14 o + o 13 14 o + o 16 18 o o o 17 19 o o o 21 23 + o o 
MgRh crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one magnesiomagnesium molecule, one Mg4Rh5 cluster, and two MgRh clusters. In the Mg4Rh5 cluster, there are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(3) and one Rh(3) atom. The Mg(1)-Mg(3) bond length is 0.76 Å. The Mg(1)-Rh(3) bond length is 3.35 Å. In the second Mg site, Mg(3) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the third Mg site, Mg(5) is bonded in a distorted single-bond geometry to one Rh(1) and one Rh(12) atom. The Mg(5)-Rh(1) bond length is 1.19 Å. The Mg(5)-Rh(12) bond length is 2.05 Å. In the fourth Mg site, Mg(6) is bonded in a bent 120 degrees geometry to one Rh(11), one Rh(2), and one Rh(3) atom. The Mg(6)-Rh(11) bond length is 0.93 Å. The Mg(6)-Rh(2) bond length is 1.19 Å. The Mg(6)-Rh(3) bond length is 2.27 Å. In the fifth Mg site, Mg(7) is bonded in a 4-coordinate geometry to one Rh(10), one Rh(11), one Rh(2), and one Rh(3) atom. The Mg(7)-Rh(10) bond length is 2.05 Å. The Mg(7)-Rh(11) bond length is 2.05 Å. The Mg(7)-Rh(2) bond length is 2.07 Å. The Mg(7)-Rh(3) bond length is 2.29 Å. In the sixth Mg site, Mg(9) is bonded in a distorted single-bond geometry to one Rh(2), one Rh(3), and one Rh(6) atom. The Mg(9)-Rh(2) bond length is 1.40 Å. The Mg(9)-Rh(3) bond length is 2.30 Å. The Mg(9)-Rh(6) bond length is 3.29 Å. In the seventh Mg site, Mg(10) is bonded in a 1-coordinate geometry to one Rh(1) atom. The Mg(10)-Rh(1) bond length is 2.30 Å. In the eighth Mg site, Mg(12) is bonded in a 1-coordinate geometry to one Rh(3) atom. The Mg(12)-Rh(3) bond length is 2.30 Å. There are ten inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a distorted single-bond geometry to one Mg(10) and one Mg(5) atom. In the second Rh site, Rh(2) is bonded in a distorted bent 120 degrees geometry to one Mg(6), one Mg(7), and one Mg(9) atom. In the third Rh site, Rh(3) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(12), one Mg(6), one Mg(7), and one Mg(9) atom. In the fourth Rh site, Rh(5) is bonded in a distorted L-shaped geometry to one Rh(7) and one Rh(8) atom. The Rh(5)-Rh(7) bond length is 1.01 Å. The Rh(5)-Rh(8) bond length is 1.72 Å. In the fifth Rh site, Rh(6) is bonded in a 3-coordinate geometry to one Mg(9), one Rh(7), and one Rh(8) atom. The Rh(6)-Rh(7) bond length is 1.72 Å. The Rh(6)-Rh(8) bond length is 1.01 Å. In the sixth Rh site, Rh(7) is bonded in a distorted L-shaped geometry to one Rh(5) and one Rh(6) atom. In the seventh Rh site, Rh(8) is bonded in a 2-coordinate geometry to one Rh(5) and one Rh(6) atom. In the eighth Rh site, Rh(10) is bonded in a 2-coordinate geometry to one Mg(7) and one Rh(12) atom. The Rh(10)-Rh(12) bond length is 1.26 Å. In the ninth Rh site, Rh(11) is bonded in a single-bond geometry to one Mg(6) and one Mg(7) atom. In the tenth Rh site, Rh(12) is bonded in a 2-coordinate geometry to one Mg(5) and one Rh(10) atom. In each MgRh cluster, Mg(8) is bonded in a single-bond geometry to one Rh(9) atom. The Mg(8)-Rh(9) bond length is 0.93 Å. Rh(9) is bonded in a single-bond geometry to one Mg(8) atom.