data_VRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRu2Pb
_chemical_formula_sum   'V1 Ru2 Pb1'
_cell_volume   65.6
_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  Ru1  1  0.54  0.54  0.53  1.0
  Ru  Ru2  1  0.54  0.54  0.42  1.0
  Pb  Pb0  1  0.0  0.0  0.47  1.0

data_VRu2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VRu2Pb
_chemical_formula_sum   'V2 Ru4 Pb2'
_cell_volume   131.2
_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
  V  V0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.04  0.5  0.42  1.0
  Ru  Ru2  2  0.04  0.5  0.53  1.0
  Pb  Pb3  2  0.0  0.0  0.47  1.0

V Ru Ru Pb
VRu2Pb crystallizes in the monoclinic Cm space group. V(1) is bonded in a 9-coordinate geometry to four equivalent V(1), three equivalent Ru(2), and two equivalent Pb(1) atoms. All V(1)-V(1) bond lengths are 3.07 Å. There is one shorter (3.52 Å) and two longer (3.61 Å) V(1)-Ru(2) bond lengths. There is one shorter (3.28 Å) and one longer (3.67 Å) V(1)-Pb(1) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Ru(2) and four equivalent Pb(1) atoms. The Ru(1)-Ru(2) bond length is 0.79 Å. There are a spread of Ru(1)-Pb(1) bond distances ranging from 2.05-2.37 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to three equivalent V(1), one Ru(1), and four equivalent Pb(1) atoms. There are a spread of Ru(2)-Pb(1) bond distances ranging from 2.05-2.37 Å. Pb(1) is bonded in a 9-coordinate geometry to two equivalent V(1), four equivalent Ru(1), and four equivalent Ru(2) atoms.