The compound described by CsRb14Tl27 crystallizes in the hexagonal P-62m space group. Cs(1) is bonded in a 18-coordinate geometry to six equivalent Rb(3), six equivalent Tl(4), and six equivalent Tl(5) atoms. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one Tl(1), one Tl(2), one Tl(5), two equivalent Tl(6), and three equivalent Tl(3) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to three equivalent Tl(2) and six equivalent Tl(3) atoms. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one Cs(1), one Tl(1), one Tl(3), two equivalent Tl(4), two equivalent Tl(6), and three equivalent Tl(5) atoms. There are six inequivalent Tl sites. In the first Tl site, Tl(5) is bonded in a 12-coordinate geometry to one Cs(1), one Rb(1), three equivalent Rb(3), one Tl(5), two equivalent Tl(6), and four equivalent Tl(4) atoms. In the second Tl site, Tl(6) is bonded in a 12-coordinate geometry to three equivalent Rb(1), three equivalent Rb(3), three equivalent Tl(4), and three equivalent Tl(5) atoms. In the third Tl site, Tl(1) is bonded in a 12-coordinate geometry to three equivalent Rb(1), three equivalent Rb(3), three equivalent Tl(2), and three equivalent Tl(3) atoms. In the fourth Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), two equivalent Tl(1), and four equivalent Tl(3) atoms. In the fifth Tl site, Tl(3) is bonded in a 10-coordinate geometry to one Rb(3), two equivalent Rb(2), three equivalent Rb(1), one Tl(1), one Tl(3), and two equivalent Tl(2) atoms. In the sixth Tl site, Tl(4) is bonded to one Cs(1), two equivalent Rb(3), two equivalent Tl(6), three equivalent Tl(4), and four equivalent Tl(5) atoms to form a mixture of distorted corner and face-sharing TlCsRb2Tl9 cuboctahedra. is represented by the CIF card [CIF]
data_CsRb14Tl27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.648
_cell_length_b   10.648
_cell_length_c   18.156
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1782.697
_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
  Cs  Cs0  1  0.000  0.000  0.500  1.0
  Rb  Rb1  1  0.389  0.389  0.817  1.0
  Rb  Rb2  1  0.611  0.000  0.817  1.0
  Rb  Rb3  1  0.000  0.611  0.817  1.0
  Rb  Rb4  1  0.389  0.389  0.183  1.0
  Rb  Rb5  1  0.611  0.000  0.183  1.0
  Rb  Rb6  1  0.000  0.611  0.183  1.0
  Rb  Rb7  1  0.333  0.667  0.000  1.0
  Rb  Rb8  1  0.667  0.333  0.000  1.0
  Rb  Rb9  1  0.728  0.728  0.689  1.0
  Rb  Rb10  1  0.272  0.000  0.689  1.0
  Rb  Rb11  1  0.000  0.272  0.689  1.0
  Rb  Rb12  1  0.728  0.728  0.311  1.0
  Rb  Rb13  1  0.272  0.000  0.311  1.0
  Rb  Rb14  1  0.000  0.272  0.311  1.0
  Tl  Tl15  1  0.000  0.000  0.850  1.0
  Tl  Tl16  1  0.000  0.000  0.150  1.0
  Tl  Tl17  1  0.211  0.211  0.000  1.0
  Tl  Tl18  1  0.789  0.000  0.000  1.0
  Tl  Tl19  1  0.000  0.789  0.000  1.0
  Tl  Tl20  1  0.716  0.716  0.909  1.0
  Tl  Tl21  1  0.284  0.000  0.909  1.0
  Tl  Tl22  1  0.000  0.284  0.909  1.0
  Tl  Tl23  1  0.716  0.716  0.091  1.0
  Tl  Tl24  1  0.284  0.000  0.091  1.0
  Tl  Tl25  1  0.000  0.284  0.091  1.0
  Tl  Tl26  1  0.827  0.293  0.500  1.0
  Tl  Tl27  1  0.707  0.534  0.500  1.0
  Tl  Tl28  1  0.466  0.173  0.500  1.0
  Tl  Tl29  1  0.293  0.827  0.500  1.0
  Tl  Tl30  1  0.534  0.707  0.500  1.0
  Tl  Tl31  1  0.173  0.466  0.500  1.0
  Tl  Tl32  1  0.383  0.383  0.600  1.0
  Tl  Tl33  1  0.617  0.000  0.600  1.0
  Tl  Tl34  1  0.000  0.617  0.600  1.0
  Tl  Tl35  1  0.383  0.383  0.400  1.0
  Tl  Tl36  1  0.617  0.000  0.400  1.0
  Tl  Tl37  1  0.000  0.617  0.400  1.0
  Tl  Tl38  1  0.667  0.333  0.656  1.0
  Tl  Tl39  1  0.667  0.333  0.344  1.0
  Tl  Tl40  1  0.333  0.667  0.656  1.0
  Tl  Tl41  1  0.333  0.667  0.344  1.0
[/CIF]
.
The compound described by CsRb14Tl27 crystallizes in the hexagonal P-62m space group. Cs(1) is bonded in a 18-coordinate geometry to six equivalent Rb(3), six equivalent Tl(4), and six equivalent Tl(5) atoms. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one Tl(1), one Tl(2), one Tl(5), two equivalent Tl(6), and three equivalent Tl(3) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to three equivalent Tl(2) and six equivalent Tl(3) atoms. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one Cs(1), one Tl(1), one Tl(3), two equivalent Tl(4), two equivalent Tl(6), and three equivalent Tl(5) atoms. There are six inequivalent Tl sites. In the first Tl site, Tl(5) is bonded in a 12-coordinate geometry to one Cs(1), one Rb(1), three equivalent Rb(3), one Tl(5), two equivalent Tl(6), and four equivalent Tl(4) atoms. In the second Tl site, Tl(6) is bonded in a 12-coordinate geometry to three equivalent Rb(1), three equivalent Rb(3), three equivalent Tl(4), and three equivalent Tl(5) atoms. In the third Tl site, Tl(1) is bonded in a 12-coordinate geometry to three equivalent Rb(1), three equivalent Rb(3), three equivalent Tl(2), and three equivalent Tl(3) atoms. In the fourth Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), two equivalent Tl(1), and four equivalent Tl(3) atoms. In the fifth Tl site, Tl(3) is bonded in a 10-coordinate geometry to one Rb(3), two equivalent Rb(2), three equivalent Rb(1), one Tl(1), one Tl(3), and two equivalent Tl(2) atoms. In the sixth Tl site, Tl(4) is bonded to one Cs(1), two equivalent Rb(3), two equivalent Tl(6), three equivalent Tl(4), and four equivalent Tl(5) atoms to form a mixture of distorted corner and face-sharing TlCsRb2Tl9 cuboctahedra. is represented by the CIF card [CIF]
data_CsRb14Tl27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.648
_cell_length_b   10.648
_cell_length_c   18.156
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1782.697
_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
  Cs  Cs0  1  0.000  0.000  0.500  1.0
  Rb  Rb1  1  0.389  0.389  0.817  1.0
  Rb  Rb2  1  0.611  0.000  0.817  1.0
  Rb  Rb3  1  0.000  0.611  0.817  1.0
  Rb  Rb4  1  0.389  0.389  0.183  1.0
  Rb  Rb5  1  0.611  0.000  0.183  1.0
  Rb  Rb6  1  0.000  0.611  0.183  1.0
  Rb  Rb7  1  0.333  0.667  0.000  1.0
  Rb  Rb8  1  0.667  0.333  0.000  1.0
  Rb  Rb9  1  0.728  0.728  0.689  1.0
  Rb  Rb10  1  0.272  0.000  0.689  1.0
  Rb  Rb11  1  0.000  0.272  0.689  1.0
  Rb  Rb12  1  0.728  0.728  0.311  1.0
  Rb  Rb13  1  0.272  0.000  0.311  1.0
  Rb  Rb14  1  0.000  0.272  0.311  1.0
  Tl  Tl15  1  0.000  0.000  0.850  1.0
  Tl  Tl16  1  0.000  0.000  0.150  1.0
  Tl  Tl17  1  0.211  0.211  0.000  1.0
  Tl  Tl18  1  0.789  0.000  0.000  1.0
  Tl  Tl19  1  0.000  0.789  0.000  1.0
  Tl  Tl20  1  0.716  0.716  0.909  1.0
  Tl  Tl21  1  0.284  0.000  0.909  1.0
  Tl  Tl22  1  0.000  0.284  0.909  1.0
  Tl  Tl23  1  0.716  0.716  0.091  1.0
  Tl  Tl24  1  0.284  0.000  0.091  1.0
  Tl  Tl25  1  0.000  0.284  0.091  1.0
  Tl  Tl26  1  0.827  0.293  0.500  1.0
  Tl  Tl27  1  0.707  0.534  0.500  1.0
  Tl  Tl28  1  0.466  0.173  0.500  1.0
  Tl  Tl29  1  0.293  0.827  0.500  1.0
  Tl  Tl30  1  0.534  0.707  0.500  1.0
  Tl  Tl31  1  0.173  0.466  0.500  1.0
  Tl  Tl32  1  0.383  0.383  0.600  1.0
  Tl  Tl33  1  0.617  0.000  0.600  1.0
  Tl  Tl34  1  0.000  0.617  0.600  1.0
  Tl  Tl35  1  0.383  0.383  0.400  1.0
  Tl  Tl36  1  0.617  0.000  0.400  1.0
  Tl  Tl37  1  0.000  0.617  0.400  1.0
  Tl  Tl38  1  0.667  0.333  0.656  1.0
  Tl  Tl39  1  0.667  0.333  0.344  1.0
  Tl  Tl40  1  0.333  0.667  0.656  1.0
  Tl  Tl41  1  0.333  0.667  0.344  1.0
[/CIF]
.