data_VRe4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRe4Ru
_chemical_formula_sum   'V1 Re4 Ru1'
_cell_volume   94.26
_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
  V  V5  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.71  0.52  0.52  1.0
  Re  Re1  1  0.52  0.52  0.71  1.0
  Re  Re2  1  0.52  0.71  0.52  1.0
  Re  Re3  1  0.71  0.71  0.71  1.0
  Ru  Ru4  1  0.42  0.42  0.42  1.0

data_VRe4Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VRe4Ru
_chemical_formula_sum   'V3 Re12 Ru3'
_cell_volume   282.77
_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
  V  V0  3  0.0  0.0  0.0  1.0
  Re  Re1  9  0.06  0.13  0.42  1.0
  Re  Re2  3  0.0  0.0  0.29  1.0
  Ru  Ru3  3  0.0  0.0  0.58  1.0

V Re Re Re Re Ru
VRe4Ru crystallizes in the trigonal R3m space group. V(1) is bonded in a 13-coordinate geometry to four equivalent Re(2), six equivalent Re(1), and three equivalent Ru(1) atoms. There are three shorter (2.99 Å) and one longer (3.67 Å) V(1)-Re(2) bond length. All V(1)-Re(1) bond lengths are 2.92 Å. All V(1)-Ru(1) bond lengths are 3.13 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 2-coordinate geometry to two equivalent V(1), one Re(2), two equivalent Re(1), and two equivalent Ru(1) atoms. The Re(1)-Re(2) bond length is 1.67 Å. Both Re(1)-Re(1) bond lengths are 0.97 Å. There is one shorter (2.11 Å) and one longer (3.21 Å) Re(1)-Ru(1) bond length. In the second Re site, Re(2) is bonded in a 10-coordinate geometry to four equivalent V(1), three equivalent Re(1), and three equivalent Ru(1) atoms. All Re(2)-Ru(1) bond lengths are 3.00 Å. Ru(1) is bonded in a 12-coordinate geometry to three equivalent V(1), three equivalent Re(2), and six equivalent Re(1) atoms.