data_BaSr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   124.14
_cell_angle_beta   124.14
_cell_angle_gamma   82.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Ru
_chemical_formula_sum   'Ba1 Sr2 Ru1'
_cell_volume   132.08
_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
  Ba  Ba0  1  0.0  0.0  0.39  1.0
  Sr  Sr2  1  0.74  0.0  0.19  1.0
  Sr  Sr3  1  0.0  0.74  0.19  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_BaSr2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   131.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSr2Ru
_chemical_formula_sum   'Ba2 Sr4 Ru2'
_cell_volume   264.16
_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
  Ba  Ba0  2  0.11  0.5  0.61  1.0
  Sr  Sr1  4  0.18  0.37  0.55  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

Ba Sr Sr Ru
Ba Sr Sr Ru 0 1 - o o 0 2 o - o 0 3 o o o 1 3 + o o 2 3 o + o 
BaSr2Ru crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and two equivalent Ru(1) atoms. Both Ba(1)-Sr(1) bond lengths are 1.28 Å. There is one shorter (2.27 Å) and one longer (3.59 Å) Ba(1)-Ru(1) bond length. Sr(1) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Ru(1) atoms. There is one shorter (2.34 Å) and one longer (3.83 Å) Sr(1)-Ru(1) bond length. Ru(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Sr(1) atoms.