data_HgMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgMo2Pb
_chemical_formula_sum   'Hg1 Mo2 Pb1'
_cell_volume   75.24
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.67  0.67  0.68  1.0
  Mo  Mo2  1  0.67  0.67  0.05  1.0
  Pb  Pb3  1  0.0  0.0  0.36  1.0

data_HgMo2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgMo2Pb
_chemical_formula_sum   'Hg2 Mo4 Pb2'
_cell_volume   150.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.17  0.5  0.05  1.0
  Mo  Mo2  2  0.17  0.5  0.68  1.0
  Pb  Pb3  2  0.0  0.0  0.36  1.0

Hg Mo Mo Pb
Hg Mo Mo Pb 0 2 - - o 0 1 - - - 0 3 o o o 1 3 + + o 1 2 o o + 2 3 + + o 
Mo2HgPb crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 11-coordinate geometry to one Mo(2), four equivalent Mo(1), three equivalent Hg(1), and three equivalent Pb(1) atoms. The Mo(1)-Mo(2) bond length is 2.47 Å. All Mo(1)-Mo(1) bond lengths are 3.34 Å. There is one shorter (2.65 Å) and two longer (3.30 Å) Mo(1)-Hg(1) bond lengths. There is one shorter (2.63 Å) and two longer (3.28 Å) Mo(1)-Pb(1) bond lengths. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Mo(1) and one Hg(1) atom. The Mo(2)-Hg(1) bond length is 1.59 Å. Hg(1) is bonded in a distorted single-bond geometry to one Mo(2), three equivalent Mo(1), and one Pb(1) atom. The Hg(1)-Pb(1) bond length is 2.45 Å. Pb(1) is bonded in a 2-coordinate geometry to three equivalent Mo(1) and one Hg(1) atom.