data_NaMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.3
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   92.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMo2Pb
_chemical_formula_sum   'Na1 Mo2 Pb1'
_cell_volume   85.34
_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
  Na  Na2  1  0.1  0.0  0.83  1.0
  Mo  Mo0  1  0.01  0.0  0.33  1.0
  Mo  Mo1  1  0.58  0.65  0.53  1.0
  Pb  Pb3  1  0.35  0.65  0.22  1.0

data_NaMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.3
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   92.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMo2Pb
_chemical_formula_sum   'Na1 Mo2 Pb1'
_cell_volume   85.34
_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
  Na  Na0  1  0.1  0.0  0.83  1.0
  Mo  Mo1  1  0.01  0.0  0.33  1.0
  Mo  Mo2  1  0.58  0.65  0.53  1.0
  Pb  Pb3  1  0.35  0.65  0.22  1.0

Na Mo Mo Pb
Na Mo Mo Pb 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 0 3 o - + 0 3 o o + 1 3 o - o 1 2 o - o 1 2 - o o 1 2 - - o 2 3 o o o 
NaMo2Pb crystallizes in the triclinic P1 space group. Na(1) is bonded in a 3-coordinate geometry to four equivalent Mo(2) and one Pb(1) atom. There are a spread of Na(1)-Mo(2) bond distances ranging from 3.08-3.61 Å. The Na(1)-Pb(1) bond length is 3.39 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to four equivalent Mo(2) and one Pb(1) atom. There are a spread of Mo(1)-Mo(2) bond distances ranging from 2.43-3.23 Å. The Mo(1)-Pb(1) bond length is 1.86 Å. In the second Mo site, Mo(2) is bonded in a 13-coordinate geometry to four equivalent Na(1), four equivalent Mo(1), four equivalent Mo(2), and one Pb(1) atom. There are two shorter (3.26 Å) and two longer (3.30 Å) Mo(2)-Mo(2) bond lengths. The Mo(2)-Pb(1) bond length is 2.55 Å. Pb(1) is bonded in a distorted single-bond geometry to one Na(1), one Mo(1), and one Mo(2) atom.