data_Mg5Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Ru3
_chemical_formula_sum   'Mg10 Ru6'
_cell_volume   275.48
_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  0.03  0.68  0.3  1.0
  Mg  Mg1  1  0.06  0.09  0.9  1.0
  Mg  Mg2  1  0.94  0.0  0.3  1.0
  Mg  Mg3  1  0.97  0.68  0.9  1.0
  Mg  Mg4  1  0.0  0.51  0.0  1.0
  Mg  Mg5  1  0.0  0.51  0.6  1.0
  Mg  Mg6  1  0.91  0.26  0.0  1.0
  Mg  Mg7  1  0.91  0.26  0.6  1.0
  Mg  Mg8  1  0.88  0.0  0.9  1.0
  Mg  Mg9  1  0.94  0.09  0.3  1.0
  Ru  Ru10  1  0.42  0.74  0.9  1.0
  Ru  Ru11  1  0.67  0.03  0.3  1.0
  Ru  Ru12  1  0.17  0.0  0.9  1.0
  Ru  Ru13  1  0.58  0.74  0.3  1.0
  Ru  Ru14  1  0.65  0.0  0.3  1.0
  Ru  Ru15  1  0.33  0.03  0.9  1.0

data_Mg5Ru3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Ru3
_chemical_formula_sum   'Mg10 Ru6'
_cell_volume   275.48
_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  0.91  0.26  1.0
  Mg  Mg1  1  -0.0  -0.0  0.51  1.0
  Mg  Mg2  1  0.3  0.03  0.68  1.0
  Mg  Mg3  1  0.3  0.94  0.0  1.0
  Mg  Mg4  1  0.3  0.94  0.09  1.0
  Mg  Mg5  1  0.6  -0.0  0.51  1.0
  Mg  Mg6  1  0.6  0.91  0.26  1.0
  Mg  Mg7  1  0.9  0.06  0.09  1.0
  Mg  Mg8  1  0.9  0.88  0.0  1.0
  Mg  Mg9  1  0.9  0.97  0.68  1.0
  Ru  Ru10  1  0.3  0.58  0.74  1.0
  Ru  Ru11  1  0.3  0.65  0.0  1.0
  Ru  Ru12  1  0.3  0.67  0.03  1.0
  Ru  Ru13  1  0.9  0.17  0.0  1.0
  Ru  Ru14  1  0.9  0.33  0.03  1.0
  Ru  Ru15  1  0.9  0.42  0.74  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Ru Ru Ru Ru Ru Ru
Mg5Ru3 crystallizes in the triclinic P1 space group. There are ten inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one Mg(4), one Mg(5), and one Mg(6) atom. The Mg(1)-Mg(4) bond length is 2.13 Å. The Mg(1)-Mg(5) bond length is 1.96 Å. The Mg(1)-Mg(6) bond length is 1.96 Å. In the second Mg site, Mg(2) is bonded in a bent 120 degrees geometry to one Mg(7), one Mg(9), and one Ru(3) atom. The Mg(2)-Mg(7) bond length is 2.19 Å. The Mg(2)-Mg(9) bond length is 1.21 Å. The Mg(2)-Ru(3) bond length is 1.35 Å. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to one Mg(10) and one Ru(4) atom. The Mg(3)-Mg(10) bond length is 0.72 Å. The Mg(3)-Ru(4) bond length is 2.48 Å. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(5), one Mg(6), and one Ru(3) atom. The Mg(4)-Mg(5) bond length is 1.51 Å. The Mg(4)-Mg(6) bond length is 2.11 Å. The Mg(4)-Ru(3) bond length is 2.20 Å. In the fifth Mg site, Mg(5) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(4), one Mg(6), one Mg(7), and one Ru(1) atom. The Mg(5)-Mg(6) bond length is 2.07 Å. The Mg(5)-Mg(7) bond length is 1.76 Å. The Mg(5)-Ru(1) bond length is 2.87 Å. In the sixth Mg site, Mg(6) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(4), one Mg(5), one Mg(8), and one Ru(1) atom. The Mg(6)-Mg(8) bond length is 1.76 Å. The Mg(6)-Ru(1) bond length is 3.23 Å. In the seventh Mg site, Mg(7) is bonded in a 6-coordinate geometry to one Mg(10), one Mg(2), one Mg(5), one Mg(8), one Mg(9), and one Ru(2) atom. The Mg(7)-Mg(10) bond length is 2.11 Å. The Mg(7)-Mg(8) bond length is 2.07 Å. The Mg(7)-Mg(9) bond length is 1.97 Å. The Mg(7)-Ru(2) bond length is 2.39 Å. In the eighth Mg site, Mg(8) is bonded in a 4-coordinate geometry to one Mg(10), one Mg(6), one Mg(7), and one Ru(2) atom. The Mg(8)-Mg(10) bond length is 2.11 Å. The Mg(8)-Ru(2) bond length is 2.39 Å. In the ninth Mg site, Mg(9) is bonded in a distorted single-bond geometry to one Mg(2), one Mg(7), and one Ru(1) atom. The Mg(9)-Ru(1) bond length is 3.15 Å. In the tenth Mg site, Mg(10) is bonded in a water-like geometry to one Mg(3), one Mg(7), one Mg(8), and one Ru(2) atom. The Mg(10)-Ru(2) bond length is 1.89 Å. There are six inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 5-coordinate geometry to one Mg(5), one Mg(6), one Mg(9), one Ru(4), and one Ru(6) atom. The Ru(1)-Ru(4) bond length is 2.44 Å. The Ru(1)-Ru(6) bond length is 2.67 Å. In the second Ru site, Ru(2) is bonded in a distorted bent 120 degrees geometry to one Mg(10), one Mg(7), one Mg(8), and one Ru(5) atom. The Ru(2)-Ru(5) bond length is 0.20 Å. In the third Ru site, Ru(3) is bonded in a 1-coordinate geometry to one Mg(2), one Mg(4), and one Ru(6) atom. The Ru(3)-Ru(6) bond length is 1.16 Å. In the fourth Ru site, Ru(4) is bonded in a 2-coordinate geometry to one Mg(3), one Ru(1), and one Ru(5) atom. The Ru(4)-Ru(5) bond length is 1.81 Å. In the fifth Ru site, Ru(5) is bonded in a distorted single-bond geometry to one Ru(2) and one Ru(4) atom. In the sixth Ru site, Ru(6) is bonded in a distorted single-bond geometry to one Ru(1) and one Ru(3) atom.