data_SiMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo2Pb
_chemical_formula_sum   'Si1 Mo2 Pb1'
_cell_volume   71.46
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.6  0.6  0.28  1.0
  Mo  Mo1  1  0.6  0.6  0.74  1.0
  Pb  Pb2  1  0.0  0.0  0.51  1.0

data_SiMo2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiMo2Pb
_chemical_formula_sum   'Si2 Mo4 Pb2'
_cell_volume   142.93
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.1  0.5  0.28  1.0
  Mo  Mo2  2  0.1  0.5  0.74  1.0
  Pb  Pb3  2  0.0  0.0  0.51  1.0

Si Mo Mo Pb
Si Mo Mo Pb 0 2 - - - 0 2 - o - 0 2 o - - 0 2 o o - 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 0 3 o o - 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 
Mo2PbSi crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to four equivalent Pb(1) and four equivalent Si(1) atoms. There are a spread of Mo(1)-Pb(1) bond distances ranging from 2.42-3.13 Å. There are a spread of Mo(1)-Si(1) bond distances ranging from 2.69-3.33 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to four equivalent Pb(1) and four equivalent Si(1) atoms. There are a spread of Mo(2)-Pb(1) bond distances ranging from 2.42-3.13 Å. There are a spread of Mo(2)-Si(1) bond distances ranging from 2.60-3.27 Å. Pb(1) is bonded in a 8-coordinate geometry to four equivalent Mo(1) and four equivalent Mo(2) atoms. Si(1) is bonded in a 8-coordinate geometry to four equivalent Mo(1) and four equivalent Mo(2) atoms.