data_YNiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiPb2
_chemical_formula_sum   'Y1 Ni1 Pb2'
_cell_volume   98.02
_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
  Y  Y3  1  0.83  0.83  0.83  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.66  0.66  0.66  1.0
  Pb  Pb2  1  0.49  0.49  0.49  1.0

data_YNiPb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YNiPb2
_chemical_formula_sum   'Y3 Ni3 Pb6'
_cell_volume   294.06
_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
  Y  Y0  3  0.0  0.0  0.17  1.0
  Ni  Ni1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.34  1.0
  Pb  Pb3  3  0.0  0.0  0.51  1.0

Y Ni Pb Pb
YNiPb2 crystallizes in the trigonal R3m space group. Y(1) is bonded to one Ni(1), one Pb(1), and three equivalent Pb(2) atoms to form distorted YNiPb4 trigonal bipyramids that share corners with six equivalent Y(1)NiPb4 trigonal bipyramids and  a cornercorner with one Pb(2)Y3Pb trigonal pyramid. The Y(1)-Ni(1) bond length is 2.16 Å. The Y(1)-Pb(1) bond length is 2.16 Å. All Y(1)-Pb(2) bond lengths are 2.99 Å. Ni(1) is bonded in a distorted single-bond geometry to one Y(1) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted single-bond geometry to one Y(1) and one Pb(2) atom. The Pb(1)-Pb(2) bond length is 2.16 Å. In the second Pb site, Pb(2) is bonded to three equivalent Y(1) and one Pb(1) atom to form PbY3Pb trigonal pyramids that share  a cornercorner with one Y(1)NiPb4 trigonal bipyramid and corners with six equivalent Pb(2)Y3Pb trigonal pyramids.