data_CoNi4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi4Pb
_chemical_formula_sum   'Co1 Ni4 Pb1'
_cell_volume   77.1
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.53  0.23  0.53  1.0
  Ni  Ni2  1  0.23  0.53  0.53  1.0
  Ni  Ni3  1  0.23  0.23  0.23  1.0
  Ni  Ni4  1  0.53  0.53  0.23  1.0
  Pb  Pb5  1  0.69  0.69  0.69  1.0

data_CoNi4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoNi4Pb
_chemical_formula_sum   'Co3 Ni12 Pb3'
_cell_volume   231.3
_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
  Co  Co0  3  0.0  0.0  0.0  1.0
  Ni  Ni1  9  0.2  0.1  0.57  1.0
  Ni  Ni2  3  0.0  0.0  0.77  1.0
  Pb  Pb3  3  0.0  0.0  0.31  1.0

Co Ni Ni Ni Ni Pb
Co Ni Ni Ni Ni Pb 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 5 - - o 0 5 - o - 0 5 o - - 0 4 - o o 0 4 o - o 0 1 - o o 0 1 o o - 0 2 o - o 0 2 o o - 1 2 o o o 1 4 o o o 1 3 + o o 1 3 o o + 1 3 o o o 1 5 o - o 2 4 o o o 2 3 o + o 2 3 o o + 2 3 o o o 2 5 - o o 3 4 - o o 3 4 o - o 3 4 o o o 3 5 - o o 3 5 o - o 3 5 o o - 4 5 o o - 
CoNi4Pb crystallizes in the trigonal R3m space group. Co(1) is bonded in a 13-coordinate geometry to four equivalent Ni(2), six equivalent Ni(1), and three equivalent Pb(1) atoms. There is one shorter (2.69 Å) and three longer (3.01 Å) Co(1)-Ni(2) bond lengths. All Co(1)-Ni(1) bond lengths are 2.69 Å. All Co(1)-Pb(1) bond lengths are 2.77 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to two equivalent Co(1), two equivalent Ni(1), three equivalent Ni(2), and one Pb(1) atom. Both Ni(1)-Ni(1) bond lengths are 1.42 Å. There is one shorter (2.45 Å) and two longer (2.92 Å) Ni(1)-Ni(2) bond lengths. The Ni(1)-Pb(1) bond length is 2.12 Å. In the second Ni site, Ni(2) is bonded in a 16-coordinate geometry to four equivalent Co(1), nine equivalent Ni(1), and three equivalent Pb(1) atoms. All Ni(2)-Pb(1) bond lengths are 3.13 Å. Pb(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(1), three equivalent Ni(1), and three equivalent Ni(2) atoms.