data_SrMgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgRu2
_chemical_formula_sum   'Sr1 Mg1 Ru2'
_cell_volume   84.6
_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
  Sr  Sr3  1  0.6  0.6  0.81  1.0
  Mg  Mg0  1  0.0  0.0  0.82  1.0
  Ru  Ru1  1  0.6  0.6  0.28  1.0
  Ru  Ru2  1  0.0  0.0  0.52  1.0

data_SrMgRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMgRu2
_chemical_formula_sum   'Sr2 Mg2 Ru4'
_cell_volume   169.2
_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
  Sr  Sr0  2  0.1  0.5  0.81  1.0
  Mg  Mg1  2  0.0  0.0  0.82  1.0
  Ru  Ru2  2  0.0  0.0  0.52  1.0
  Ru  Ru3  2  0.1  0.5  0.28  1.0

Sr Mg Ru Ru
Sr Mg Ru Ru 0 1 + + o 0 3 + + o 0 3 + o o 0 3 o + o 1 3 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
SrMgRu2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 3-coordinate geometry to four equivalent Mg(1) and one Ru(1) atom. There are a spread of Sr(1)-Mg(1) bond distances ranging from 1.82-2.70 Å. The Sr(1)-Ru(1) bond length is 3.95 Å. Mg(1) is bonded to four equivalent Sr(1) and one Ru(2) atom to form a mixture of distorted edge and corner-sharing MgSr4Ru square pyramids. The Mg(1)-Ru(2) bond length is 2.48 Å. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 9-coordinate geometry to one Sr(1), four equivalent Ru(1), and four equivalent Ru(2) atoms. All Ru(1)-Ru(1) bond lengths are 3.20 Å. There are a spread of Ru(1)-Ru(2) bond distances ranging from 2.67-3.34 Å. In the second Ru site, Ru(2) is bonded in a distorted single-bond geometry to one Mg(1) and four Ru(1,1) atoms. Both Ru(2)-Ru(1) bond lengths are 3.02 Å. In the third Ru site, Ru(1) is bonded in a 9-coordinate geometry to one Sr(1), four equivalent Ru(1), and four equivalent Ru(2) atoms. The Ru(1)-Sr(1) bond length is 3.95 Å.