data_Mg2CrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   4.46
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   104.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrRu
_chemical_formula_sum   'Mg2 Cr1 Ru1'
_cell_volume   60.58
_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  Mg1  1  0.69  0.23  0.27  1.0
  Mg  Mg2  1  0.74  0.23  0.79  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.71  0.0  0.53  1.0

data_Mg2CrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.46
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   104.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrRu
_chemical_formula_sum   'Mg2 Cr1 Ru1'
_cell_volume   60.58
_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  0.69  0.23  0.27  1.0
  Mg  Mg1  1  0.74  0.23  0.79  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.71  0.0  0.53  1.0

Mg Mg Cr Ru
Mg Mg Cr Ru 0 3 o o o 1 3 o o o 1 2 + o + 
Mg2CrRu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2CrRu cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Ru(1) atom. The Mg(1)-Ru(1) bond length is 1.70 Å. In the second Mg site, Mg(2) is bonded in an L-shaped geometry to one Cr(1) and one Ru(1) atom. The Mg(2)-Cr(1) bond length is 1.54 Å. The Mg(2)-Ru(1) bond length is 1.70 Å. Cr(1) is bonded in a 1-coordinate geometry to one Mg(2) atom. Ru(1) is bonded in a water-like geometry to one Mg(1) and one Mg(2) atom.