data_NaY2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Ru
_chemical_formula_sum   'Na1 Y2 Ru1'
_cell_volume   90.84
_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  0.57  0.57  0.57  1.0
  Y  Y3  1  0.35  0.35  0.35  1.0
  Ru  Ru1  1  0.78  0.78  0.78  1.0

data_NaY2Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaY2Ru
_chemical_formula_sum   'Na3 Y6 Ru3'
_cell_volume   272.52
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Y  Y1  3  0.0  0.0  0.43  1.0
  Y  Y2  3  0.0  0.0  0.65  1.0
  Ru  Ru3  3  0.0  0.0  0.22  1.0

Na Y Y Ru
Na Y Y Ru 0 3 - - - 0 3 - - o 0 3 o - - 0 3 - o - 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
NaY2Ru crystallizes in the trigonal R3m space group. Na(1) is bonded in a 1-coordinate geometry to three equivalent Y(2) and four equivalent Ru(1) atoms. All Na(1)-Y(2) bond lengths are 2.92 Å. There is one shorter (2.67 Å) and three longer (3.25 Å) Na(1)-Ru(1) bond lengths. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Y(2) and four equivalent Ru(1) atoms. The Y(1)-Y(2) bond length is 2.67 Å. There is one shorter (2.67 Å) and three longer (3.25 Å) Y(1)-Ru(1) bond lengths. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to three equivalent Na(1), one Y(1), and three equivalent Ru(1) atoms. All Y(2)-Ru(1) bond lengths are 3.16 Å. Ru(1) is bonded in a distorted linear geometry to four equivalent Na(1), three equivalent Y(2), and four equivalent Y(1) atoms.