data_MgSbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbRu2
_chemical_formula_sum   'Mg1 Sb1 Ru2'
_cell_volume   66.21
_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  0.0  1.0
  Sb  Sb3  1  0.82  0.82  0.82  1.0
  Ru  Ru1  1  0.21  0.21  0.21  1.0
  Ru  Ru2  1  0.61  0.61  0.61  1.0

data_MgSbRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgSbRu2
_chemical_formula_sum   'Mg3 Sb3 Ru6'
_cell_volume   198.64
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.18  1.0
  Ru  Ru2  3  0.0  0.0  0.39  1.0
  Ru  Ru3  3  0.0  0.0  0.79  1.0

Mg Sb Ru Ru
MgRu2Sb crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 2-coordinate geometry to one Ru(1), three equivalent Ru(2), and one Sb(1) atom. The Mg(1)-Ru(1) bond length is 2.35 Å. All Mg(1)-Ru(2) bond lengths are 2.71 Å. The Mg(1)-Sb(1) bond length is 2.04 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the second Ru site, Ru(2) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one Sb(1) atom. The Ru(2)-Sb(1) bond length is 2.35 Å. Sb(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Ru(2) atom.