data_Mg2ReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ReRu
_chemical_formula_sum   'Mg2 Re1 Ru1'
_cell_volume   62.85
_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  0.59  0.0  0.19  1.0
  Mg  Mg1  1  0.59  0.0  0.8  1.0
  Re  Re2  1  0.0  0.0  0.5  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Mg2ReRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.71
_cell_length_b   8.99
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   108.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg2ReRu
_chemical_formula_sum   'Mg2 Re1 Ru1'
_cell_volume   62.85
_cell_formula_units_Z   1
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  0.59  0.19  0.0  1.0
  Re  Re1  1  0.0  0.5  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

Mg Mg Re Ru
Mg2ReRu crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Re(1) and two equivalent Ru(1) atoms. There is one shorter (2.98 Å) and one longer (3.20 Å) Mg(1)-Re(1) bond length. There is one shorter (2.02 Å) and one longer (2.33 Å) Mg(1)-Ru(1) bond length. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Re(1) and two equivalent Ru(1) atoms. There is one shorter (2.98 Å) and one longer (3.20 Å) Mg(2)-Re(1) bond length. There is one shorter (2.08 Å) and one longer (2.38 Å) Mg(2)-Ru(1) bond length. Re(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and four equivalent Re(1) atoms. All Re(1)-Re(1) bond lengths are 2.71 Å. Ru(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms.