data_Mo2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsPb
_chemical_formula_sum   'Mo2 As1 Pb1'
_cell_volume   72.71
_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  Mo1  1  0.62  0.62  0.35  1.0
  Mo  Mo2  1  0.62  0.62  0.62  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.48  1.0

data_Mo2AsPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mo2AsPb
_chemical_formula_sum   'Mo4 As2 Pb2'
_cell_volume   145.42
_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
  Mo  Mo0  2  0.12  0.5  0.35  1.0
  Mo  Mo1  2  0.12  0.5  0.62  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.48  1.0

Mo Mo As Pb
Mo2PbAs crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Mo(2), three equivalent Pb(1), and one As(1) atom. The Mo(1)-Mo(2) bond length is 1.89 Å. There is one shorter (2.00 Å) and two longer (2.53 Å) Mo(1)-Pb(1) bond lengths. The Mo(1)-As(1) bond length is 2.99 Å. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one Mo(1), three equivalent Pb(1), and one As(1) atom. There is one shorter (2.00 Å) and two longer (2.53 Å) Mo(2)-Pb(1) bond lengths. The Mo(2)-As(1) bond length is 3.18 Å. Pb(1) is bonded in a 2-coordinate geometry to three equivalent Mo(1) and three equivalent Mo(2) atoms. As(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Mo(2) atom.