data_Ba2CrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrRu
_chemical_formula_sum   'Ba2 Cr1 Ru1'
_cell_volume   115.67
_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  0.0  1.0
  Ba  Ba1  1  0.72  0.72  0.24  1.0
  Cr  Cr2  1  0.0  0.0  0.91  1.0
  Ru  Ru3  1  0.72  0.72  0.36  1.0

data_Ba2CrRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2CrRu
_chemical_formula_sum   'Ba4 Cr2 Ru2'
_cell_volume   231.34
_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  0.0  0.0  0.0  1.0
  Ba  Ba1  2  0.22  0.5  0.24  1.0
  Cr  Cr2  2  0.0  0.0  0.91  1.0
  Ru  Ru3  2  0.22  0.5  0.36  1.0

Ba Ba Cr Ru
Ba Ba Cr Ru 0 2 o o - 1 3 o o o 
BaCrRuBa is Cubic alpha N2-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaCr clusters and two RuBa clusters. In each BaCr cluster, Ba(1) is bonded in a single-bond geometry to one Cr(1) atom. The Ba(1)-Cr(1) bond length is 0.92 Å. Cr(1) is bonded in a single-bond geometry to one Ba(1) atom. In each RuBa cluster, Ba(2) is bonded in a single-bond geometry to one Ru(1) atom. The Ba(2)-Ru(1) bond length is 1.17 Å. Ru(1) is bonded in a single-bond geometry to one Ba(2) atom.