data_BaLa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Ru
_chemical_formula_sum   'Ba1 La2 Ru1'
_cell_volume   141.2
_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  0.3  1.0
  La  La1  1  0.83  0.83  0.93  1.0
  La  La2  1  0.83  0.83  0.66  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_BaLa2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLa2Ru
_chemical_formula_sum   'Ba2 La4 Ru2'
_cell_volume   282.41
_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  0.3  1.0
  La  La1  2  0.33  0.5  0.66  1.0
  La  La2  2  0.33  0.5  0.93  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Ba La La Ru
Ba La La Ru 0 1 - - - 0 2 - - o 0 0 + o o 0 0 o + o 0 3 o o o 1 3 + + + 1 2 o o o 2 2 + o o 2 2 o + o 2 3 + + + 
BaLa2Ru crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a distorted single-bond geometry to one La(2) and one Ru(1) atom. The Ba(1)-La(2) bond length is 3.99 Å. The Ba(1)-Ru(1) bond length is 3.15 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one La(2) and one Ru(1) atom. The La(1)-La(2) bond length is 2.82 Å. The La(1)-Ru(1) bond length is 1.16 Å. In the second La site, La(2) is bonded to one Ba(1), one La(1), and four equivalent La(2) atoms to form a mixture of distorted corner and edge-sharing LaBaLa5 octahedra. The corner-sharing octahedra are not tilted. All La(2)-La(2) bond lengths are 3.65 Å. Ru(1) is bonded in a single-bond geometry to one Ba(1) and one La(1) atom.