The crystal structure described by PbBi12O20 crystallizes in the cubic I23 space group. Pb(1) is bonded to four equivalent O(2) atoms to form PbO4 tetrahedra that share corners with twelve equivalent Bi(1)O5 square pyramids. Bi(1) is bonded to one O(2), one O(3), and three equivalent O(1) atoms to form distorted BiO5 square pyramids that share corners with eight equivalent Bi(1)O5 square pyramids,  a cornercorner with one Pb(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O5 square pyramid. There are three inequivalent O sites. In the first O site, O(3) is bonded in a trigonal planar geometry to three equivalent Bi(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the third O site, O(2) is bonded to one Pb(1) and three equivalent Bi(1) atoms to form corner-sharing OBi3Pb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi12PbO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.885
_cell_length_b   8.885
_cell_length_c   8.885
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   539.932
_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
  Bi  Bi0  1  0.838  0.335  0.145  1.0
  Bi  Bi1  1  0.810  0.665  0.503  1.0
  Bi  Bi2  1  0.190  0.693  0.855  1.0
  Bi  Bi3  1  0.503  0.810  0.665  1.0
  Bi  Bi4  1  0.855  0.190  0.693  1.0
  Bi  Bi5  1  0.665  0.503  0.810  1.0
  Bi  Bi6  1  0.335  0.145  0.838  1.0
  Bi  Bi7  1  0.693  0.855  0.190  1.0
  Bi  Bi8  1  0.307  0.497  0.162  1.0
  Bi  Bi9  1  0.145  0.838  0.335  1.0
  Bi  Bi10  1  0.162  0.307  0.497  1.0
  Bi  Bi11  1  0.497  0.162  0.307  1.0
  Pb  Pb12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.377  0.263  0.620  1.0
  O  O14  1  0.357  0.737  0.114  1.0
  O  O15  1  0.000  1.000  0.766  1.0
  O  O16  1  0.766  0.000  1.000  1.0
  O  O17  1  0.757  0.380  0.643  1.0
  O  O18  1  0.620  0.377  0.263  1.0
  O  O19  1  0.380  0.643  0.757  1.0
  O  O20  1  0.623  0.243  0.886  1.0
  O  O21  1  0.372  1.000  1.000  1.0
  O  O22  1  0.114  0.357  0.737  1.0
  O  O23  1  0.886  0.623  0.243  1.0
  O  O24  1  0.263  0.620  0.377  1.0
  O  O25  1  1.000  0.372  1.000  1.0
  O  O26  1  1.000  0.766  1.000  1.0
  O  O27  1  0.243  0.886  0.623  1.0
  O  O28  1  0.234  0.234  0.234  1.0
  O  O29  1  1.000  1.000  0.372  1.0
  O  O30  1  0.628  0.628  0.628  1.0
  O  O31  1  0.643  0.757  0.380  1.0
  O  O32  1  0.737  0.114  0.357  1.0
[/CIF]
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The crystal structure described by PbBi12O20 crystallizes in the cubic I23 space group. Pb(1) is bonded to four equivalent O(2) atoms to form PbO4 tetrahedra that share corners with twelve equivalent Bi(1)O5 square pyramids. Bi(1) is bonded to one O(2), one O(3), and three equivalent O(1) atoms to form distorted BiO5 square pyramids that share corners with eight equivalent Bi(1)O5 square pyramids,  a cornercorner with one Pb(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O5 square pyramid. There are three inequivalent O sites. In the first O site, O(3) is bonded in a trigonal planar geometry to three equivalent Bi(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the third O site, O(2) is bonded to one Pb(1) and three equivalent Bi(1) atoms to form corner-sharing OBi3Pb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi12PbO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.885
_cell_length_b   8.885
_cell_length_c   8.885
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   539.932
_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
  Bi  Bi0  1  0.838  0.335  0.145  1.0
  Bi  Bi1  1  0.810  0.665  0.503  1.0
  Bi  Bi2  1  0.190  0.693  0.855  1.0
  Bi  Bi3  1  0.503  0.810  0.665  1.0
  Bi  Bi4  1  0.855  0.190  0.693  1.0
  Bi  Bi5  1  0.665  0.503  0.810  1.0
  Bi  Bi6  1  0.335  0.145  0.838  1.0
  Bi  Bi7  1  0.693  0.855  0.190  1.0
  Bi  Bi8  1  0.307  0.497  0.162  1.0
  Bi  Bi9  1  0.145  0.838  0.335  1.0
  Bi  Bi10  1  0.162  0.307  0.497  1.0
  Bi  Bi11  1  0.497  0.162  0.307  1.0
  Pb  Pb12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.377  0.263  0.620  1.0
  O  O14  1  0.357  0.737  0.114  1.0
  O  O15  1  0.000  1.000  0.766  1.0
  O  O16  1  0.766  0.000  1.000  1.0
  O  O17  1  0.757  0.380  0.643  1.0
  O  O18  1  0.620  0.377  0.263  1.0
  O  O19  1  0.380  0.643  0.757  1.0
  O  O20  1  0.623  0.243  0.886  1.0
  O  O21  1  0.372  1.000  1.000  1.0
  O  O22  1  0.114  0.357  0.737  1.0
  O  O23  1  0.886  0.623  0.243  1.0
  O  O24  1  0.263  0.620  0.377  1.0
  O  O25  1  1.000  0.372  1.000  1.0
  O  O26  1  1.000  0.766  1.000  1.0
  O  O27  1  0.243  0.886  0.623  1.0
  O  O28  1  0.234  0.234  0.234  1.0
  O  O29  1  1.000  1.000  0.372  1.0
  O  O30  1  0.628  0.628  0.628  1.0
  O  O31  1  0.643  0.757  0.380  1.0
  O  O32  1  0.737  0.114  0.357  1.0
[/CIF]
.