data_MgSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb2Ru
_chemical_formula_sum   'Mg1 Sb2 Ru1'
_cell_volume   86.38
_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  0.0  0.0  0.58  1.0
  Sb  Sb2  1  0.0  0.0  0.67  1.0
  Sb  Sb3  1  0.61  0.61  0.4  1.0
  Ru  Ru1  1  0.61  0.61  0.19  1.0

data_MgSb2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgSb2Ru
_chemical_formula_sum   'Mg2 Sb4 Ru2'
_cell_volume   172.76
_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  0.58  1.0
  Sb  Sb1  2  0.0  0.0  0.67  1.0
  Sb  Sb2  2  0.11  0.5  0.4  1.0
  Ru  Ru3  2  0.11  0.5  0.19  1.0

Mg Sb Sb Ru
Mg Sb Sb Ru 0 1 o o o 2 3 o o o 
MgRuSb2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgRuSb2 clusters. Mg(1) is bonded in a distorted single-bond geometry to one Sb(1) and one Sb(2) atom. The Mg(1)-Sb(1) bond length is 0.81 Å. The Mg(1)-Sb(2) bond length is 2.34 Å. Ru(1) is bonded in a single-bond geometry to one Sb(2) atom. The Ru(1)-Sb(2) bond length is 1.71 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Mg(1) atom. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one Mg(1) and one Ru(1) atom.