The structure described by Cs4Hg2Sn21 crystallizes in the orthorhombic Ama2 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 20-coordinate geometry to one Sn(11), one Sn(12), one Sn(6), one Sn(9), two equivalent Sn(1), two equivalent Sn(10), two equivalent Sn(2), two equivalent Sn(3), two equivalent Sn(4), two equivalent Sn(5), two equivalent Sn(7), and two equivalent Sn(8) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent Sn(11), two equivalent Sn(12), two equivalent Sn(6), and two equivalent Sn(9) atoms. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to two equivalent Sn(10), two equivalent Sn(5), two equivalent Sn(7), and two equivalent Sn(8) atoms. In the fourth Cs site, Cs(4) is bonded in a 8-coordinate geometry to two equivalent Sn(10), two equivalent Sn(5), two equivalent Sn(7), and two equivalent Sn(8) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted tetrahedral geometry to two equivalent Sn(10) and two equivalent Sn(7) atoms. In the second Hg site, Hg(2) is bonded in a distorted tetrahedral geometry to one Sn(12), one Sn(9), and two equivalent Sn(8) atoms. There are thirteen inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Cs(1), one Sn(1), one Sn(5), one Sn(6), and one Sn(7) atom. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one Cs(1), one Sn(10), one Sn(2), one Sn(8), and one Sn(9) atom. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one Cs(1), one Sn(11), one Sn(4), one Sn(7), and one Sn(8) atom. In the fourth Sn site, Sn(4) is bonded in a 5-coordinate geometry to one Cs(1), one Sn(10), one Sn(12), one Sn(3), and one Sn(5) atom. In the fifth Sn site, Sn(5) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Sn(1), one Sn(13), one Sn(4), and one Sn(8) atom. In the sixth Sn site, Sn(6) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one Sn(12), one Sn(13), and two equivalent Sn(1) atoms. In the seventh Sn site, Sn(7) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Hg(1), one Sn(1), one Sn(3), and one Sn(7) atom. In the eighth Sn site, Sn(8) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Hg(2), one Sn(2), one Sn(3), and one Sn(5) atom. In the ninth Sn site, Sn(9) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one Hg(2), one Sn(11), and two equivalent Sn(2) atoms. In the tenth Sn site, Sn(10) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Hg(1), one Sn(10), one Sn(2), and one Sn(4) atom. In the eleventh Sn site, Sn(11) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one Sn(13), one Sn(9), and two equivalent Sn(3) atoms. In the twelfth Sn site, Sn(12) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one Hg(2), one Sn(6), and two equivalent Sn(4) atoms. In the thirteenth Sn site, Sn(13) is bonded in a distorted tetrahedral geometry to one Sn(11), one Sn(6), and two equivalent Sn(5) atoms. is represented by the CIF card [CIF]
data_Cs4Sn21Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.368
_cell_length_b   12.368
_cell_length_c   12.365
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.025
_symmetry_Int_Tables_number   1
_cell_volume   1891.568
_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
  Cs  Cs0  1  0.499  0.999  0.250  1.0
  Cs  Cs1  1  0.001  0.501  0.750  1.0
  Cs  Cs2  1  0.493  0.507  0.000  1.0
  Cs  Cs3  1  0.006  0.245  0.250  1.0
  Cs  Cs4  1  0.755  0.994  0.750  1.0
  Cs  Cs5  1  0.493  0.507  0.500  1.0
  Cs  Cs6  1  0.006  0.755  0.250  1.0
  Cs  Cs7  1  0.245  0.994  0.750  1.0
  Sn  Sn8  1  0.686  0.183  0.067  1.0
  Sn  Sn9  1  0.317  0.817  0.433  1.0
  Sn  Sn10  1  0.684  0.819  0.435  1.0
  Sn  Sn11  1  0.316  0.184  0.068  1.0
  Sn  Sn12  1  0.317  0.817  0.067  1.0
  Sn  Sn13  1  0.686  0.183  0.433  1.0
  Sn  Sn14  1  0.316  0.184  0.432  1.0
  Sn  Sn15  1  0.684  0.819  0.065  1.0
  Sn  Sn16  1  0.181  0.316  0.935  1.0
  Sn  Sn17  1  0.816  0.684  0.568  1.0
  Sn  Sn18  1  0.183  0.683  0.567  1.0
  Sn  Sn19  1  0.817  0.314  0.933  1.0
  Sn  Sn20  1  0.817  0.314  0.567  1.0
  Sn  Sn21  1  0.183  0.683  0.933  1.0
  Sn  Sn22  1  0.816  0.684  0.932  1.0
  Sn  Sn23  1  0.181  0.316  0.565  1.0
  Sn  Sn24  1  0.500  0.117  0.944  1.0
  Sn  Sn25  1  0.616  0.307  0.250  1.0
  Sn  Sn26  1  0.814  1.000  0.132  1.0
  Sn  Sn27  1  0.500  0.879  0.564  1.0
  Sn  Sn28  1  0.379  0.688  0.250  1.0
  Sn  Sn29  1  0.189  1.000  0.369  1.0
  Sn  Sn30  1  0.617  0.695  0.250  1.0
  Sn  Sn31  1  0.814  1.000  0.368  1.0
  Sn  Sn32  1  0.380  0.315  0.250  1.0
  Sn  Sn33  1  0.189  1.000  0.131  1.0
  Sn  Sn34  1  0.500  0.879  0.936  1.0
  Sn  Sn35  1  0.500  0.117  0.556  1.0
  Sn  Sn36  1  0.000  0.186  0.868  1.0
  Sn  Sn37  1  0.121  0.500  0.064  1.0
  Sn  Sn38  1  0.305  0.383  0.750  1.0
  Sn  Sn39  1  0.000  0.811  0.631  1.0
  Sn  Sn40  1  0.883  0.500  0.444  1.0
  Sn  Sn41  1  0.685  0.620  0.750  1.0
  Sn  Sn42  1  0.121  0.500  0.436  1.0
  Sn  Sn43  1  0.312  0.621  0.750  1.0
  Sn  Sn44  1  0.883  0.500  0.056  1.0
  Sn  Sn45  1  0.693  0.384  0.750  1.0
  Sn  Sn46  1  0.000  0.186  0.632  1.0
  Sn  Sn47  1  0.000  0.811  0.869  1.0
  Sn  Sn48  1  0.500  0.250  0.750  1.0
  Sn  Sn49  1  0.750  0.500  0.250  1.0
  Hg  Hg50  1  0.001  0.999  0.000  1.0
  Hg  Hg51  1  0.499  0.750  0.750  1.0
  Hg  Hg52  1  0.250  0.501  0.250  1.0
  Hg  Hg53  1  0.001  0.999  0.500  1.0
[/CIF]
.
The structure described by Cs4Hg2Sn21 crystallizes in the orthorhombic Ama2 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 20-coordinate geometry to one Sn(11), one Sn(12), one Sn(6), one Sn(9), two equivalent Sn(1), two equivalent Sn(10), two equivalent Sn(2), two equivalent Sn(3), two equivalent Sn(4), two equivalent Sn(5), two equivalent Sn(7), and two equivalent Sn(8) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent Sn(11), two equivalent Sn(12), two equivalent Sn(6), and two equivalent Sn(9) atoms. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to two equivalent Sn(10), two equivalent Sn(5), two equivalent Sn(7), and two equivalent Sn(8) atoms. In the fourth Cs site, Cs(4) is bonded in a 8-coordinate geometry to two equivalent Sn(10), two equivalent Sn(5), two equivalent Sn(7), and two equivalent Sn(8) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted tetrahedral geometry to two equivalent Sn(10) and two equivalent Sn(7) atoms. In the second Hg site, Hg(2) is bonded in a distorted tetrahedral geometry to one Sn(12), one Sn(9), and two equivalent Sn(8) atoms. There are thirteen inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Cs(1), one Sn(1), one Sn(5), one Sn(6), and one Sn(7) atom. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one Cs(1), one Sn(10), one Sn(2), one Sn(8), and one Sn(9) atom. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one Cs(1), one Sn(11), one Sn(4), one Sn(7), and one Sn(8) atom. In the fourth Sn site, Sn(4) is bonded in a 5-coordinate geometry to one Cs(1), one Sn(10), one Sn(12), one Sn(3), and one Sn(5) atom. In the fifth Sn site, Sn(5) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Sn(1), one Sn(13), one Sn(4), and one Sn(8) atom. In the sixth Sn site, Sn(6) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one Sn(12), one Sn(13), and two equivalent Sn(1) atoms. In the seventh Sn site, Sn(7) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Hg(1), one Sn(1), one Sn(3), and one Sn(7) atom. In the eighth Sn site, Sn(8) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Hg(2), one Sn(2), one Sn(3), and one Sn(5) atom. In the ninth Sn site, Sn(9) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one Hg(2), one Sn(11), and two equivalent Sn(2) atoms. In the tenth Sn site, Sn(10) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Hg(1), one Sn(10), one Sn(2), and one Sn(4) atom. In the eleventh Sn site, Sn(11) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one Sn(13), one Sn(9), and two equivalent Sn(3) atoms. In the twelfth Sn site, Sn(12) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one Hg(2), one Sn(6), and two equivalent Sn(4) atoms. In the thirteenth Sn site, Sn(13) is bonded in a distorted tetrahedral geometry to one Sn(11), one Sn(6), and two equivalent Sn(5) atoms. is represented by the CIF card [CIF]
data_Cs4Sn21Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.368
_cell_length_b   12.368
_cell_length_c   12.365
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.025
_symmetry_Int_Tables_number   1
_cell_volume   1891.568
_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
  Cs  Cs0  1  0.499  0.999  0.250  1.0
  Cs  Cs1  1  0.001  0.501  0.750  1.0
  Cs  Cs2  1  0.493  0.507  0.000  1.0
  Cs  Cs3  1  0.006  0.245  0.250  1.0
  Cs  Cs4  1  0.755  0.994  0.750  1.0
  Cs  Cs5  1  0.493  0.507  0.500  1.0
  Cs  Cs6  1  0.006  0.755  0.250  1.0
  Cs  Cs7  1  0.245  0.994  0.750  1.0
  Sn  Sn8  1  0.686  0.183  0.067  1.0
  Sn  Sn9  1  0.317  0.817  0.433  1.0
  Sn  Sn10  1  0.684  0.819  0.435  1.0
  Sn  Sn11  1  0.316  0.184  0.068  1.0
  Sn  Sn12  1  0.317  0.817  0.067  1.0
  Sn  Sn13  1  0.686  0.183  0.433  1.0
  Sn  Sn14  1  0.316  0.184  0.432  1.0
  Sn  Sn15  1  0.684  0.819  0.065  1.0
  Sn  Sn16  1  0.181  0.316  0.935  1.0
  Sn  Sn17  1  0.816  0.684  0.568  1.0
  Sn  Sn18  1  0.183  0.683  0.567  1.0
  Sn  Sn19  1  0.817  0.314  0.933  1.0
  Sn  Sn20  1  0.817  0.314  0.567  1.0
  Sn  Sn21  1  0.183  0.683  0.933  1.0
  Sn  Sn22  1  0.816  0.684  0.932  1.0
  Sn  Sn23  1  0.181  0.316  0.565  1.0
  Sn  Sn24  1  0.500  0.117  0.944  1.0
  Sn  Sn25  1  0.616  0.307  0.250  1.0
  Sn  Sn26  1  0.814  1.000  0.132  1.0
  Sn  Sn27  1  0.500  0.879  0.564  1.0
  Sn  Sn28  1  0.379  0.688  0.250  1.0
  Sn  Sn29  1  0.189  1.000  0.369  1.0
  Sn  Sn30  1  0.617  0.695  0.250  1.0
  Sn  Sn31  1  0.814  1.000  0.368  1.0
  Sn  Sn32  1  0.380  0.315  0.250  1.0
  Sn  Sn33  1  0.189  1.000  0.131  1.0
  Sn  Sn34  1  0.500  0.879  0.936  1.0
  Sn  Sn35  1  0.500  0.117  0.556  1.0
  Sn  Sn36  1  0.000  0.186  0.868  1.0
  Sn  Sn37  1  0.121  0.500  0.064  1.0
  Sn  Sn38  1  0.305  0.383  0.750  1.0
  Sn  Sn39  1  0.000  0.811  0.631  1.0
  Sn  Sn40  1  0.883  0.500  0.444  1.0
  Sn  Sn41  1  0.685  0.620  0.750  1.0
  Sn  Sn42  1  0.121  0.500  0.436  1.0
  Sn  Sn43  1  0.312  0.621  0.750  1.0
  Sn  Sn44  1  0.883  0.500  0.056  1.0
  Sn  Sn45  1  0.693  0.384  0.750  1.0
  Sn  Sn46  1  0.000  0.186  0.632  1.0
  Sn  Sn47  1  0.000  0.811  0.869  1.0
  Sn  Sn48  1  0.500  0.250  0.750  1.0
  Sn  Sn49  1  0.750  0.500  0.250  1.0
  Hg  Hg50  1  0.001  0.999  0.000  1.0
  Hg  Hg51  1  0.499  0.750  0.750  1.0
  Hg  Hg52  1  0.250  0.501  0.250  1.0
  Hg  Hg53  1  0.001  0.999  0.500  1.0
[/CIF]
.