data_SbMoPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoPb4
_chemical_formula_sum   'Sb1 Mo1 Pb4'
_cell_volume   172.28
_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
  Sb  Sb5  1  0.62  0.62  0.62  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.53  0.53  0.31  1.0
  Pb  Pb2  1  0.53  0.31  0.53  1.0
  Pb  Pb3  1  0.31  0.53  0.53  1.0
  Pb  Pb4  1  0.31  0.31  0.31  1.0

data_SbMoPb4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   15.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SbMoPb4
_chemical_formula_sum   'Sb3 Mo3 Pb12'
_cell_volume   516.85
_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
  Sb  Sb0  3  0.0  0.0  0.38  1.0
  Mo  Mo1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  9  0.15  0.07  0.55  1.0
  Pb  Pb3  3  0.0  0.0  0.69  1.0

Sb Mo Pb Pb Pb Pb
MoPb4Sb crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 12-coordinate geometry to three equivalent Pb(2), six equivalent Pb(1), and three equivalent Sb(1) atoms. All Mo(1)-Pb(2) bond lengths are 3.63 Å. All Mo(1)-Pb(1) bond lengths are 3.76 Å. All Mo(1)-Sb(1) bond lengths are 3.66 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Pb(1), and three equivalent Sb(1) atoms. All Pb(2)-Pb(1) bond lengths are 2.37 Å. All Pb(2)-Sb(1) bond lengths are 3.61 Å. In the second Pb site, Pb(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), one Pb(2), two equivalent Pb(1), and one Sb(1) atom. Both Pb(1)-Pb(1) bond lengths are 1.37 Å. The Pb(1)-Sb(1) bond length is 2.74 Å. Sb(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1), three equivalent Pb(1), and three equivalent Pb(2) atoms.