data_ZrBi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   5.04
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Pb
_chemical_formula_sum   'Zr1 Bi2 Pb1'
_cell_volume   130.76
_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  0.0  1.0
  Bi  Bi0  1  0.82  0.52  0.75  1.0
  Bi  Bi1  1  0.82  0.52  0.4  1.0
  Pb  Pb2  1  0.0  0.0  0.57  1.0

data_ZrBi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.04
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Pb
_chemical_formula_sum   'Zr1 Bi2 Pb1'
_cell_volume   130.76
_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  0.0  1.0
  Bi  Bi1  1  0.82  0.52  0.4  1.0
  Bi  Bi2  1  0.82  0.52  0.75  1.0
  Pb  Pb3  1  0.0  0.0  0.57  1.0

Zr Bi Bi Pb
ZrPbBi2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 7-coordinate geometry to two equivalent Zr(1), one Pb(1), two equivalent Bi(1), and two equivalent Bi(2) atoms. Both Zr(1)-Zr(1) bond lengths are 3.63 Å. The Zr(1)-Pb(1) bond length is 3.05 Å. There is one shorter (3.08 Å) and one longer (3.25 Å) Zr(1)-Bi(1) bond length. There is one shorter (3.78 Å) and one longer (3.92 Å) Zr(1)-Bi(2) bond length. Pb(1) is bonded in a 5-coordinate geometry to one Zr(1), two equivalent Bi(1), and two equivalent Bi(2) atoms. There is one shorter (2.81 Å) and one longer (2.99 Å) Pb(1)-Bi(1) bond length. There is one shorter (2.81 Å) and one longer (2.99 Å) Pb(1)-Bi(2) bond length. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to two equivalent Zr(1), two equivalent Pb(1), and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 2.52 Å. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to two equivalent Zr(1), two equivalent Pb(1), one Bi(1), and two equivalent Bi(2) atoms. Both Bi(2)-Bi(2) bond lengths are 3.63 Å.