data_Ni4MoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4MoPb
_chemical_formula_sum   'Ni4 Mo1 Pb1'
_cell_volume   80.97
_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
  Ni  Ni1  1  0.3  0.3  0.57  1.0
  Ni  Ni2  1  0.3  0.57  0.3  1.0
  Ni  Ni3  1  0.57  0.3  0.3  1.0
  Ni  Ni4  1  0.57  0.57  0.57  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.15  0.15  0.15  1.0

data_Ni4MoPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   11.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ni4MoPb
_chemical_formula_sum   'Ni12 Mo3 Pb3'
_cell_volume   242.92
_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
  Ni  Ni0  9  0.09  0.18  0.61  1.0
  Ni  Ni1  3  0.0  0.0  0.43  1.0
  Mo  Mo2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.85  1.0

Ni Ni Ni Ni Mo Pb
MoNi4Pb crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 4-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and one Pb(1) atom. All Mo(1)-Ni(1) bond lengths are 2.17 Å. All Mo(1)-Ni(2) bond lengths are 3.05 Å. The Mo(1)-Pb(1) bond length is 1.79 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one Mo(1), one Ni(2), two equivalent Ni(1), and one Pb(1) atom. The Ni(1)-Ni(2) bond length is 2.22 Å. Both Ni(1)-Ni(1) bond lengths are 1.28 Å. The Ni(1)-Pb(1) bond length is 2.35 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Ni(1), and three equivalent Pb(1) atoms. All Ni(2)-Pb(1) bond lengths are 2.97 Å. Pb(1) is bonded in a 1-coordinate geometry to one Mo(1), three equivalent Ni(1), and three equivalent Ni(2) atoms.