data_MoPb3
_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   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPb3
_chemical_formula_sum   'Mo1 Pb3'
_cell_volume   108.95
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.39  0.39  1.0
  Pb  Pb2  1  0.39  0.0  0.39  1.0
  Pb  Pb3  1  0.39  0.39  0.0  1.0

data_MoPb3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MoPb3
_chemical_formula_sum   'Mo3 Pb9'
_cell_volume   326.85
_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
  Mo  Mo0  3  0.0  0.0  0.0  1.0
  Pb  Pb1  9  0.07  0.54  0.93  1.0

Mo Pb Pb Pb
Mo Pb Pb Pb 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
MoPb3 is Uranium Silicide structured and crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 9-coordinate geometry to nine equivalent Pb(1) atoms. There are three shorter (2.62 Å) and six longer (3.46 Å) Mo(1)-Pb(1) bond lengths. Pb(1) is bonded in a 9-coordinate geometry to three equivalent Mo(1) and six equivalent Pb(1) atoms. There are two shorter (2.62 Å) and four longer (3.46 Å) Pb(1)-Pb(1) bond lengths.