data_VRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRu3
_chemical_formula_sum   'V2 Ru6'
_cell_volume   113.41
_cell_formula_units_Z   2
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
  V  V6  1  0.42  0.42  0.42  1.0
  V  V7  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.42  0.63  0.0  1.0
  Ru  Ru1  1  0.42  0.21  0.0  1.0
  Ru  Ru2  1  0.63  0.0  0.42  1.0
  Ru  Ru3  1  0.0  0.42  0.63  1.0
  Ru  Ru4  1  0.0  0.42  0.21  1.0
  Ru  Ru5  1  0.21  0.0  0.42  1.0

data_VRu3
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   VRu3
_chemical_formula_sum   'V6 Ru18'
_cell_volume   340.23
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  V  V0  3  0.0  0.0  0.0  1.0
  V  V1  3  0.0  0.0  0.42  1.0
  Ru  Ru2  9  0.0  0.79  0.21  1.0
  Ru  Ru3  9  0.07  0.35  0.35  1.0

V V Ru Ru Ru Ru Ru Ru
V V Ru Ru Ru Ru Ru Ru 0 7 o o o 0 6 o o o 0 5 o o o 0 3 o o o 0 4 o o o 0 2 o o o 1 4 - o o 1 2 o - o 1 5 o o - 1 7 o o o 1 6 o o o 1 3 o o o 2 6 o o o 2 3 o o o 3 7 o o o 3 6 o o o 3 4 o o o 4 7 o o o 5 7 o o o 5 6 o o o 6 7 o o o 
VRu3 is beta Plutonium-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to three equivalent Ru(1) and three equivalent Ru(2) atoms. All V(1)-Ru(1) bond lengths are 2.27 Å. All V(1)-Ru(2) bond lengths are 2.27 Å. In the second V site, V(2) is bonded in a 12-coordinate geometry to six equivalent Ru(1) and six equivalent Ru(2) atoms. There are three shorter (2.71 Å) and three longer (3.33 Å) V(2)-Ru(1) bond lengths. There are three shorter (2.27 Å) and three longer (2.98 Å) V(2)-Ru(2) bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to one V(1) and two equivalent V(2) atoms. In the second Ru site, Ru(2) is bonded in a 2-coordinate geometry to one V(1) and two equivalent V(2) atoms.