data_VSiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiPb
_chemical_formula_sum   'V1 Si1 Pb1'
_cell_volume   70.0
_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  V2  1  0.27  0.27  0.27  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.64  0.64  0.64  1.0

data_VSiPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   11.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VSiPb
_chemical_formula_sum   'V3 Si3 Pb3'
_cell_volume   209.99
_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  0.73  1.0
  Si  Si1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.36  1.0

V Si Pb
VPbSi crystallizes in the trigonal R3m space group. V(1) is bonded to three equivalent Pb(1) and four equivalent Si(1) atoms to form distorted VSi4Pb3 hexagonal pyramids that share corners with three equivalent Si(1)V4Pb3 hexagonal pyramids, corners with six equivalent V(1)Si4Pb3 hexagonal pyramids, edges with three equivalent Si(1)V4Pb3 hexagonal pyramids, and edges with six equivalent V(1)Si4Pb3 hexagonal pyramids. All V(1)-Pb(1) bond lengths are 2.69 Å. There are three shorter (2.76 Å) and one longer (3.07 Å) V(1)-Si(1) bond length. Pb(1) is bonded in a hexagonal planar geometry to three equivalent V(1) and three equivalent Si(1) atoms. All Pb(1)-Si(1) bond lengths are 2.69 Å. Si(1) is bonded to four equivalent V(1) and three equivalent Pb(1) atoms to form SiV4Pb3 hexagonal pyramids that share corners with three equivalent V(1)Si4Pb3 hexagonal pyramids, corners with six equivalent Si(1)V4Pb3 hexagonal pyramids, edges with three equivalent V(1)Si4Pb3 hexagonal pyramids, and edges with six equivalent Si(1)V4Pb3 hexagonal pyramids.