data_Zn2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   137.77
_cell_angle_beta   137.77
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnPb
_chemical_formula_sum   'Zn2 Sn1 Pb1'
_cell_volume   93.33
_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
  Zn  Zn2  1  0.0  0.14  0.55  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.11  1.0
  Pb  Pb0  1  0.14  0.0  0.55  1.0

data_Zn2SnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.93
_cell_angle_alpha   111.11
_cell_angle_beta   111.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnPb
_chemical_formula_sum   'Zn2 Sn1 Pb1'
_cell_volume   93.33
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.42  0.55  0.42  1.0
  Sn  Sn2  1  0.11  0.11  0.11  1.0
  Pb  Pb3  1  0.55  0.42  0.42  1.0

Zn Zn Sn Pb
Zn Zn Sn Pb 0 3 o o o 1 2 o o o 
PbZnSnZn is BCT5 structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PbZn cluster and one SnZn cluster. In the PbZn cluster, Zn(1) is bonded in a single-bond geometry to one Pb(1) atom. The Zn(1)-Pb(1) bond length is 0.83 Å. Pb(1) is bonded in a single-bond geometry to one Zn(1) atom. In the SnZn cluster, Zn(2) is bonded in a single-bond geometry to one Sn(1) atom. The Zn(2)-Sn(1) bond length is 0.63 Å. Sn(1) is bonded in a distorted single-bond geometry to one Zn(2) atom.