The material structure described by Cs4PbO4 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted CsO4 trigonal pyramids that share corners with four equivalent Pb(1)O4 tetrahedra and  an edgeedge with one Cs(2)O4 trigonal pyramid. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. Pb(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PbO4 tetrahedra that share corners with four equivalent Cs(2)O4 trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Cs(4), two equivalent Cs(2), two equivalent Cs(3), and one Pb(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Pb(1) atom. In the fourth O site, O(4) is bonded to two equivalent Cs(4), three equivalent Cs(1), and one Pb(1) atom to form a mixture of distorted corner and edge-sharing OCs5Pb octahedra. The corner-sharing octahedral tilt angles range from 42-45°. is represented by the CIF card [CIF]
data_Cs4PbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   11.805
_cell_length_c   11.902
_cell_angle_alpha   68.834
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   972.760
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.416  0.704  0.938  1.0
  Cs  Cs1  1  0.333  0.108  0.371  1.0
  Cs  Cs2  1  0.916  0.796  0.062  1.0
  Cs  Cs3  1  0.833  0.392  0.629  1.0
  Cs  Cs4  1  0.667  0.892  0.629  1.0
  Cs  Cs5  1  0.819  0.209  0.423  1.0
  Cs  Cs6  1  0.319  0.291  0.577  1.0
  Cs  Cs7  1  0.888  0.581  0.842  1.0
  Cs  Cs8  1  0.388  0.919  0.158  1.0
  Cs  Cs9  1  0.612  0.081  0.842  1.0
  Cs  Cs10  1  0.584  0.296  0.062  1.0
  Cs  Cs11  1  0.681  0.709  0.423  1.0
  Cs  Cs12  1  0.084  0.204  0.938  1.0
  Cs  Cs13  1  0.112  0.419  0.158  1.0
  Cs  Cs14  1  0.167  0.608  0.371  1.0
  Cs  Cs15  1  0.181  0.791  0.577  1.0
  Pb  Pb16  1  0.375  0.491  0.760  1.0
  Pb  Pb17  1  0.875  0.009  0.240  1.0
  Pb  Pb18  1  0.125  0.991  0.760  1.0
  Pb  Pb19  1  0.625  0.509  0.240  1.0
  O  O20  1  0.486  0.671  0.212  1.0
  O  O21  1  0.336  0.012  0.637  1.0
  O  O22  1  0.514  0.329  0.788  1.0
  O  O23  1  0.014  0.171  0.212  1.0
  O  O24  1  0.164  0.512  0.637  1.0
  O  O25  1  0.537  0.647  0.689  1.0
  O  O26  1  0.037  0.853  0.311  1.0
  O  O27  1  0.963  0.147  0.689  1.0
  O  O28  1  0.664  0.988  0.363  1.0
  O  O29  1  0.236  0.973  0.927  1.0
  O  O30  1  0.764  0.027  0.073  1.0
  O  O31  1  0.463  0.353  0.311  1.0
  O  O32  1  0.736  0.527  0.073  1.0
  O  O33  1  0.264  0.473  0.927  1.0
  O  O34  1  0.836  0.488  0.363  1.0
  O  O35  1  0.986  0.829  0.788  1.0
[/CIF]
.
The material structure described by Cs4PbO4 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted CsO4 trigonal pyramids that share corners with four equivalent Pb(1)O4 tetrahedra and  an edgeedge with one Cs(2)O4 trigonal pyramid. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. Pb(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PbO4 tetrahedra that share corners with four equivalent Cs(2)O4 trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Cs(4), two equivalent Cs(2), two equivalent Cs(3), and one Pb(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Pb(1) atom. In the fourth O site, O(4) is bonded to two equivalent Cs(4), three equivalent Cs(1), and one Pb(1) atom to form a mixture of distorted corner and edge-sharing OCs5Pb octahedra. The corner-sharing octahedral tilt angles range from 42-45°. is represented by the CIF card [CIF]
data_Cs4PbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   11.805
_cell_length_c   11.902
_cell_angle_alpha   68.834
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   972.760
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.416  0.704  0.938  1.0
  Cs  Cs1  1  0.333  0.108  0.371  1.0
  Cs  Cs2  1  0.916  0.796  0.062  1.0
  Cs  Cs3  1  0.833  0.392  0.629  1.0
  Cs  Cs4  1  0.667  0.892  0.629  1.0
  Cs  Cs5  1  0.819  0.209  0.423  1.0
  Cs  Cs6  1  0.319  0.291  0.577  1.0
  Cs  Cs7  1  0.888  0.581  0.842  1.0
  Cs  Cs8  1  0.388  0.919  0.158  1.0
  Cs  Cs9  1  0.612  0.081  0.842  1.0
  Cs  Cs10  1  0.584  0.296  0.062  1.0
  Cs  Cs11  1  0.681  0.709  0.423  1.0
  Cs  Cs12  1  0.084  0.204  0.938  1.0
  Cs  Cs13  1  0.112  0.419  0.158  1.0
  Cs  Cs14  1  0.167  0.608  0.371  1.0
  Cs  Cs15  1  0.181  0.791  0.577  1.0
  Pb  Pb16  1  0.375  0.491  0.760  1.0
  Pb  Pb17  1  0.875  0.009  0.240  1.0
  Pb  Pb18  1  0.125  0.991  0.760  1.0
  Pb  Pb19  1  0.625  0.509  0.240  1.0
  O  O20  1  0.486  0.671  0.212  1.0
  O  O21  1  0.336  0.012  0.637  1.0
  O  O22  1  0.514  0.329  0.788  1.0
  O  O23  1  0.014  0.171  0.212  1.0
  O  O24  1  0.164  0.512  0.637  1.0
  O  O25  1  0.537  0.647  0.689  1.0
  O  O26  1  0.037  0.853  0.311  1.0
  O  O27  1  0.963  0.147  0.689  1.0
  O  O28  1  0.664  0.988  0.363  1.0
  O  O29  1  0.236  0.973  0.927  1.0
  O  O30  1  0.764  0.027  0.073  1.0
  O  O31  1  0.463  0.353  0.311  1.0
  O  O32  1  0.736  0.527  0.073  1.0
  O  O33  1  0.264  0.473  0.927  1.0
  O  O34  1  0.836  0.488  0.363  1.0
  O  O35  1  0.986  0.829  0.788  1.0
[/CIF]
.