data_ZrAsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsPb2
_chemical_formula_sum   'Zr1 As1 Pb2'
_cell_volume   107.01
_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
  Zr  Zr3  1  0.0  0.0  0.25  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.89  0.0  0.61  1.0
  Pb  Pb2  1  0.89  0.0  0.89  1.0

data_ZrAsPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsPb2
_chemical_formula_sum   'Zr1 As1 Pb2'
_cell_volume   107.01
_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
  Zr  Zr0  1  0.0  0.0  0.25  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.89  0.0  0.61  1.0
  Pb  Pb3  1  0.89  0.0  0.89  1.0

Zr As Pb Pb
ZrPb2As crystallizes in the triclinic P1 space group. Zr(1) is bonded in a distorted single-bond geometry to one Pb(1) and one As(1) atom. The Zr(1)-Pb(1) bond length is 3.85 Å. The Zr(1)-As(1) bond length is 2.63 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one Zr(1), one Pb(2), and four equivalent Pb(1) atoms to form a mixture of distorted corner and edge-sharing PbZrPb5 octahedra. The corner-sharing octahedra are not tilted. The Pb(1)-Pb(2) bond length is 2.84 Å. All Pb(1)-Pb(1) bond lengths are 3.29 Å. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one Pb(1) and one As(1) atom. The Pb(2)-As(1) bond length is 1.26 Å. As(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Pb(2) atom.