data_Cu2NiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiPb
_chemical_formula_sum   'Cu2 Ni1 Pb1'
_cell_volume   62.93
_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
  Cu  Cu0  1  0.06  0.0  0.62  1.0
  Cu  Cu1  1  0.06  0.0  0.29  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.46  1.0

data_Cu2NiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiPb
_chemical_formula_sum   'Cu2 Ni1 Pb1'
_cell_volume   62.93
_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
  Cu  Cu0  1  0.06  0.0  0.29  1.0
  Cu  Cu1  1  0.06  0.0  0.62  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.46  1.0

Cu Cu Ni Pb
Cu Cu Ni Pb 0 3 o o o 1 3 o o o 1 2 o o o 
NiCu2Pb crystallizes in the triclinic P1 space group. Ni(1) is bonded to four equivalent Ni(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing NiCu2Ni4 octahedra. The corner-sharing octahedra are not tilted. All Ni(1)-Ni(1) bond lengths are 3.02 Å. The Ni(1)-Cu(1) bond length is 2.62 Å. The Ni(1)-Cu(2) bond length is 2.04 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Ni(1) and one Pb(1) atom. The Cu(1)-Pb(1) bond length is 1.15 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Ni(1) and one Pb(1) atom. The Cu(2)-Pb(1) bond length is 1.15 Å. Pb(1) is bonded in a linear geometry to one Cu(1) and one Cu(2) atom.