data_NaY2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Ru
_chemical_formula_sum   'Na1 Y2 Ru1'
_cell_volume   110.31
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.71  0.71  0.35  1.0
  Y  Y3  1  0.71  0.71  0.06  1.0
  Ru  Ru1  1  0.0  0.0  0.7  1.0

data_NaY2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaY2Ru
_chemical_formula_sum   'Na2 Y4 Ru2'
_cell_volume   220.62
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Y  Y1  2  0.21  0.5  0.06  1.0
  Y  Y2  2  0.21  0.5  0.35  1.0
  Ru  Ru3  2  0.0  0.0  0.7  1.0

Na Y Y Ru
Na Y Y Ru 0 2 - - o 0 1 - - o 0 3 o o - 1 1 + o o 1 1 o + o 1 2 o o o 1 3 + + o 2 3 + + - 3 3 + o o 3 3 o + o 
NaY2Ru crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 4-coordinate geometry to three equivalent Y(2) and one Ru(1) atom. There is one shorter (1.49 Å) and two longer (2.68 Å) Na(1)-Y(2) bond lengths. The Na(1)-Ru(1) bond length is 2.78 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one Y(2), four equivalent Y(1), and one Ru(1) atom. The Y(1)-Y(2) bond length is 2.80 Å. All Y(1)-Y(1) bond lengths are 3.42 Å. The Y(1)-Ru(1) bond length is 3.59 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to three equivalent Na(1) and one Y(1) atom. Ru(1) is bonded in a distorted single-bond geometry to one Na(1) and one Y(1) atom.