data_AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPb
_chemical_formula_sum   'As2 Pb2'
_cell_volume   115.13
_cell_formula_units_Z   2
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
  As  As0  1  0.0  0.0  0.98  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.36  0.36  0.47  1.0
  Pb  Pb3  1  0.0  0.73  0.49  1.0

data_AsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPb
_chemical_formula_sum   'As2 Pb2'
_cell_volume   115.13
_cell_formula_units_Z   2
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
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.0  0.98  1.0
  Pb  Pb2  1  0.0  0.73  0.49  1.0
  Pb  Pb3  1  0.36  0.36  0.47  1.0

As As Pb Pb
AsPb crystallizes in the triclinic P1 space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to three equivalent Pb(2) and one As(2) atom. There are a spread of Pb(1)-Pb(2) bond distances ranging from 2.61-2.98 Å. The Pb(1)-As(2) bond length is 3.26 Å. In the second Pb site, Pb(2) is bonded to three equivalent Pb(1), one As(1), and one As(2) atom to form distorted corner-sharing PbAs2Pb3 trigonal bipyramids. The Pb(2)-As(1) bond length is 3.18 Å. The Pb(2)-As(2) bond length is 3.18 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Pb(2) and one As(2) atom. The As(1)-As(2) bond length is 0.14 Å. In the second As site, As(2) is bonded in a single-bond geometry to one Pb(1), one Pb(2), and one As(1) atom.