data_MgCo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2Ru
_chemical_formula_sum   'Mg1 Co2 Ru1'
_cell_volume   51.76
_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  Mg2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.34  0.34  0.25  1.0
  Co  Co1  1  0.34  0.34  0.93  1.0
  Ru  Ru3  1  0.0  0.0  0.59  1.0

data_MgCo2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCo2Ru
_chemical_formula_sum   'Mg2 Co4 Ru2'
_cell_volume   103.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Co  Co1  2  0.34  0.0  0.25  1.0
  Co  Co2  2  0.34  0.0  0.93  1.0
  Ru  Ru3  2  0.0  0.0  0.59  1.0

Mg Co Co Ru
Mg Co Co Ru 0 2 o o - 0 1 o o o 0 1 o - o 0 1 - o o 0 3 o o - 1 3 o o o 1 3 + o o 1 3 o + o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
MgRuCo2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted single-bond geometry to one Ru(1), one Co(1), and one Co(2) atom. The Mg(1)-Ru(1) bond length is 2.94 Å. The Mg(1)-Co(1) bond length is 2.20 Å. The Mg(1)-Co(2) bond length is 1.38 Å. Ru(1) is bonded in a 11-coordinate geometry to one Mg(1), four equivalent Ru(1), three equivalent Co(1), and three equivalent Co(2) atoms. All Ru(1)-Ru(1) bond lengths are 2.68 Å. There is one shorter (2.79 Å) and two longer (3.17 Å) Ru(1)-Co(1) bond lengths. There is one shorter (2.79 Å) and two longer (3.17 Å) Ru(1)-Co(2) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one Mg(1) and three equivalent Ru(1) atoms. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Mg(1) and three equivalent Ru(1) atoms.