data_Ho2VPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2VPb
_chemical_formula_sum   'Ho2 V1 Pb1'
_cell_volume   99.12
_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
  Ho  Ho0  1  0.84  0.84  0.84  1.0
  Ho  Ho1  1  0.51  0.51  0.51  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.67  0.67  0.67  1.0

data_Ho2VPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ho2VPb
_chemical_formula_sum   'Ho6 V3 Pb3'
_cell_volume   297.36
_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
  Ho  Ho0  3  0.0  0.0  0.16  1.0
  Ho  Ho1  3  0.0  0.0  0.49  1.0
  V  V2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.33  1.0

Ho Ho V Pb
Ho Ho V Pb 0 3 o o o 0 2 + + + 1 3 o o o 
Ho2VPb crystallizes in the trigonal R3m space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a distorted linear geometry to one V(1) and one Pb(1) atom. The Ho(1)-V(1) bond length is 2.08 Å. The Ho(1)-Pb(1) bond length is 2.08 Å. In the second Ho site, Ho(2) is bonded in a single-bond geometry to one Pb(1) atom. The Ho(2)-Pb(1) bond length is 2.08 Å. V(1) is bonded to one Ho(1) and three equivalent Pb(1) atoms to form distorted corner-sharing VHoPb3 trigonal pyramids. All V(1)-Pb(1) bond lengths are 3.00 Å. Pb(1) is bonded in a distorted linear geometry to one Ho(1), one Ho(2), and three equivalent V(1) atoms.