data_MgNbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   138.56
_cell_angle_beta   138.56
_cell_angle_gamma   60.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbPb2
_chemical_formula_sum   'Mg1 Nb1 Pb2'
_cell_volume   92.29
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.11  0.0  0.58  1.0
  Pb  Pb2  1  0.0  0.0  0.17  1.0
  Pb  Pb3  1  0.0  0.11  0.58  1.0

data_MgNbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.97
_cell_angle_alpha   110.72
_cell_angle_beta   110.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbPb2
_chemical_formula_sum   'Mg1 Nb1 Pb2'
_cell_volume   92.29
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.42  0.0  0.53  1.0
  Pb  Pb2  1  0.53  0.11  0.53  1.0
  Pb  Pb3  1  0.83  0.0  0.83  1.0

Mg Nb Pb Pb
Mg Nb Pb Pb 0 2 o o o 1 3 o o o 
PbMg1PbNb1 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PbMg1 cluster and one PbNb1 cluster. In the PbMg1 cluster, Mg(1) is bonded in a single-bond geometry to one Pb(1) atom. The Mg(1)-Pb(1) bond length is 1.01 Å. Pb(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the PbNb1 cluster, Nb(1) is bonded in a single-bond geometry to one Pb(2) atom. The Nb(1)-Pb(2) bond length is 0.67 Å. Pb(2) is bonded in a single-bond geometry to one Nb(1) atom.