data_VRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRu3
_chemical_formula_sum   'V1 Ru3'
_cell_volume   56.25
_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  V3  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.44  0.0  0.05  1.0
  Ru  Ru1  1  0.44  0.0  0.63  1.0
  Ru  Ru2  1  0.0  0.0  0.34  1.0

data_VRu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRu3
_chemical_formula_sum   'V1 Ru3'
_cell_volume   56.25
_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  V0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.34  1.0
  Ru  Ru2  1  0.44  0.0  0.05  1.0
  Ru  Ru3  1  0.44  0.0  0.63  1.0

V Ru Ru Ru
VRu3 crystallizes in the triclinic P1 space group. V(1) is bonded in a distorted bent 150 degrees geometry to one Ru(3), two equivalent Ru(1), and two equivalent Ru(2) atoms. The V(1)-Ru(3) bond length is 2.94 Å. There is one shorter (1.24 Å) and one longer (1.56 Å) V(1)-Ru(1) bond length. There is one shorter (3.41 Å) and one longer (3.54 Å) V(1)-Ru(2) bond length. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) and two equivalent Ru(3) atoms. There is one shorter (2.79 Å) and one longer (2.95 Å) Ru(1)-Ru(3) bond length. In the second Ru site, Ru(2) is bonded in a 10-coordinate geometry to two equivalent V(1), two equivalent Ru(3), and six equivalent Ru(2) atoms. There is one shorter (2.79 Å) and one longer (2.95 Å) Ru(2)-Ru(3) bond length. There are four shorter (2.67 Å) and two longer (2.87 Å) Ru(2)-Ru(2) bond lengths. In the third Ru site, Ru(3) is bonded in a 11-coordinate geometry to one V(1), two equivalent Ru(1), two equivalent Ru(2), and six equivalent Ru(3) atoms. There are four shorter (2.67 Å) and two longer (2.87 Å) Ru(3)-Ru(3) bond lengths.