data_HgMoPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMoPb4
_chemical_formula_sum   'Hg1 Mo1 Pb4'
_cell_volume   184.06
_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
  Hg  Hg0  1  0.77  0.77  0.77  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.65  0.65  0.38  1.0
  Pb  Pb3  1  0.65  0.38  0.65  1.0
  Pb  Pb4  1  0.38  0.65  0.65  1.0
  Pb  Pb5  1  0.38  0.38  0.38  1.0

data_HgMoPb4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   15.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HgMoPb4
_chemical_formula_sum   'Hg3 Mo3 Pb12'
_cell_volume   552.18
_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
  Hg  Hg0  3  0.0  0.0  0.23  1.0
  Mo  Mo1  3  0.0  0.0  1.0  1.0
  Pb  Pb2  9  0.18  0.09  0.44  1.0
  Pb  Pb3  3  0.0  0.0  0.62  1.0

Hg Mo Pb Pb Pb Pb
Hg Mo Pb Pb Pb Pb 0 1 + o + 0 1 o + + 0 1 + + o 0 1 + + + 0 4 o o o 0 4 + o o 0 3 o o o 0 3 o + o 0 2 o o o 0 2 o o + 0 5 o o + 0 5 o + o 0 5 + o o 1 2 - - o 1 3 - o - 1 5 - o o 1 5 o - o 1 5 o o - 1 4 o - - 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
MoHgPb4 crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 3-coordinate geometry to three equivalent Pb(1) and three equivalent Pb(2) atoms. All Mo(1)-Pb(1) bond lengths are 3.17 Å. All Mo(1)-Pb(2) bond lengths are 3.76 Å. Hg(1) is bonded in a 3-coordinate geometry to three equivalent Pb(1) atoms. All Hg(1)-Pb(1) bond lengths are 3.29 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(2) is bonded in a 6-coordinate geometry to three equivalent Mo(1) and three equivalent Pb(1) atoms. All Pb(2)-Pb(1) bond lengths are 2.98 Å. In the second Pb site, Pb(1) is bonded in a 4-coordinate geometry to one Mo(1), one Hg(1), one Pb(2), and two equivalent Pb(1) atoms. Both Pb(1)-Pb(1) bond lengths are 1.72 Å.