data_MgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.64
_cell_angle_alpha   108.99
_cell_angle_beta   108.99
_cell_angle_gamma   32.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRu
_chemical_formula_sum   'Mg2 Ru2'
_cell_volume   63.77
_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  0.79  0.0  0.68  1.0
  Mg  Mg1  1  0.66  0.0  0.68  1.0
  Ru  Ru2  1  0.84  0.0  0.62  1.0
  Ru  Ru3  1  0.61  0.0  0.74  1.0

data_MgRu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.92
_cell_length_b   4.64
_cell_length_c   5.22
_cell_angle_alpha   108.99
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgRu
_chemical_formula_sum   'Mg2 Ru2'
_cell_volume   63.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.5  0.44  1.0
  Ru  Ru1  2  0.0  0.44  0.62  1.0

Mg Mg Ru Ru
Mg Mg Ru Ru 0 2 o o o 1 3 o o o 
MgRu crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one MgRu cluster. Mg(1) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Ru(1) atom. The Mg(1)-Mg(1) bond length is 0.64 Å. The Mg(1)-Ru(1) bond length is 0.48 Å. Ru(1) is bonded in a single-bond geometry to one Mg(1) atom.