The structure described by CsPbTa6Cl18 crystallizes in the trigonal P-31c space group. Cs(1) is bonded in a 12-coordinate geometry to six equivalent Cl(2) and six equivalent Cl(3) atoms. Ta(1) is bonded to one Cl(2), two equivalent Cl(1), and two equivalent Cl(3) atoms to form distorted TaCl5 square pyramids that share  a cornercorner with one Pb(1)Cl6 octahedra and corners with four equivalent Ta(1)Cl5 square pyramids. The corner-sharing octahedral tilt angles are 50°. Pb(1) is bonded to six equivalent Cl(2) atoms to form PbCl6 octahedra that share corners with six equivalent Ta(1)Cl5 square pyramids. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Ta(1), and one Pb(1) atom. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTa6PbCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.440
_cell_length_b   9.440
_cell_length_c   17.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1357.326
_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  0.667  0.333  0.750  1.0
  Cs  Cs1  1  0.333  0.667  0.250  1.0
  Ta  Ta2  1  0.808  0.835  0.932  1.0
  Ta  Ta3  1  0.835  0.026  0.068  1.0
  Ta  Ta4  1  0.192  0.026  0.432  1.0
  Ta  Ta5  1  0.192  0.165  0.068  1.0
  Ta  Ta6  1  0.165  0.974  0.932  1.0
  Ta  Ta7  1  0.974  0.165  0.432  1.0
  Ta  Ta8  1  0.808  0.974  0.568  1.0
  Ta  Ta9  1  0.026  0.835  0.568  1.0
  Ta  Ta10  1  0.165  0.192  0.568  1.0
  Ta  Ta11  1  0.835  0.808  0.432  1.0
  Ta  Ta12  1  0.974  0.808  0.068  1.0
  Ta  Ta13  1  0.026  0.192  0.932  1.0
  Pb  Pb14  1  0.667  0.333  0.250  1.0
  Pb  Pb15  1  0.333  0.667  0.750  1.0
  Cl  Cl16  1  0.838  0.583  0.500  1.0
  Cl  Cl17  1  0.054  0.624  0.655  1.0
  Cl  Cl18  1  0.417  0.162  1.000  1.0
  Cl  Cl19  1  0.745  0.162  0.500  1.0
  Cl  Cl20  1  0.162  0.745  0.000  1.0
  Cl  Cl21  1  0.162  0.417  0.500  1.0
  Cl  Cl22  1  0.224  0.030  0.659  1.0
  Cl  Cl23  1  0.970  0.194  0.659  1.0
  Cl  Cl24  1  0.624  0.054  0.155  1.0
  Cl  Cl25  1  0.194  0.970  0.159  1.0
  Cl  Cl26  1  0.030  0.224  0.159  1.0
  Cl  Cl27  1  0.570  0.624  0.845  1.0
  Cl  Cl28  1  0.583  0.838  0.000  1.0
  Cl  Cl29  1  0.376  0.430  0.655  1.0
  Cl  Cl30  1  0.417  0.255  0.500  1.0
  Cl  Cl31  1  0.838  0.255  1.000  1.0
  Cl  Cl32  1  0.430  0.054  0.345  1.0
  Cl  Cl33  1  0.776  0.970  0.341  1.0
  Cl  Cl34  1  0.583  0.745  0.500  1.0
  Cl  Cl35  1  0.806  0.030  0.841  1.0
  Cl  Cl36  1  0.255  0.838  0.500  1.0
  Cl  Cl37  1  0.624  0.570  0.345  1.0
  Cl  Cl38  1  0.946  0.570  0.155  1.0
  Cl  Cl39  1  0.946  0.376  0.345  1.0
  Cl  Cl40  1  0.776  0.806  0.159  1.0
  Cl  Cl41  1  0.970  0.776  0.841  1.0
  Cl  Cl42  1  0.570  0.946  0.655  1.0
  Cl  Cl43  1  0.224  0.194  0.841  1.0
  Cl  Cl44  1  0.255  0.417  0.000  1.0
  Cl  Cl45  1  0.194  0.224  0.341  1.0
  Cl  Cl46  1  0.376  0.946  0.845  1.0
  Cl  Cl47  1  0.054  0.430  0.845  1.0
  Cl  Cl48  1  0.806  0.776  0.659  1.0
  Cl  Cl49  1  0.430  0.376  0.155  1.0
  Cl  Cl50  1  0.030  0.806  0.341  1.0
  Cl  Cl51  1  0.745  0.583  1.000  1.0
[/CIF]
.
The structure described by CsPbTa6Cl18 crystallizes in the trigonal P-31c space group. Cs(1) is bonded in a 12-coordinate geometry to six equivalent Cl(2) and six equivalent Cl(3) atoms. Ta(1) is bonded to one Cl(2), two equivalent Cl(1), and two equivalent Cl(3) atoms to form distorted TaCl5 square pyramids that share  a cornercorner with one Pb(1)Cl6 octahedra and corners with four equivalent Ta(1)Cl5 square pyramids. The corner-sharing octahedral tilt angles are 50°. Pb(1) is bonded to six equivalent Cl(2) atoms to form PbCl6 octahedra that share corners with six equivalent Ta(1)Cl5 square pyramids. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Ta(1), and one Pb(1) atom. In the third Cl site, Cl(3) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTa6PbCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.440
_cell_length_b   9.440
_cell_length_c   17.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1357.326
_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  0.667  0.333  0.750  1.0
  Cs  Cs1  1  0.333  0.667  0.250  1.0
  Ta  Ta2  1  0.808  0.835  0.932  1.0
  Ta  Ta3  1  0.835  0.026  0.068  1.0
  Ta  Ta4  1  0.192  0.026  0.432  1.0
  Ta  Ta5  1  0.192  0.165  0.068  1.0
  Ta  Ta6  1  0.165  0.974  0.932  1.0
  Ta  Ta7  1  0.974  0.165  0.432  1.0
  Ta  Ta8  1  0.808  0.974  0.568  1.0
  Ta  Ta9  1  0.026  0.835  0.568  1.0
  Ta  Ta10  1  0.165  0.192  0.568  1.0
  Ta  Ta11  1  0.835  0.808  0.432  1.0
  Ta  Ta12  1  0.974  0.808  0.068  1.0
  Ta  Ta13  1  0.026  0.192  0.932  1.0
  Pb  Pb14  1  0.667  0.333  0.250  1.0
  Pb  Pb15  1  0.333  0.667  0.750  1.0
  Cl  Cl16  1  0.838  0.583  0.500  1.0
  Cl  Cl17  1  0.054  0.624  0.655  1.0
  Cl  Cl18  1  0.417  0.162  1.000  1.0
  Cl  Cl19  1  0.745  0.162  0.500  1.0
  Cl  Cl20  1  0.162  0.745  0.000  1.0
  Cl  Cl21  1  0.162  0.417  0.500  1.0
  Cl  Cl22  1  0.224  0.030  0.659  1.0
  Cl  Cl23  1  0.970  0.194  0.659  1.0
  Cl  Cl24  1  0.624  0.054  0.155  1.0
  Cl  Cl25  1  0.194  0.970  0.159  1.0
  Cl  Cl26  1  0.030  0.224  0.159  1.0
  Cl  Cl27  1  0.570  0.624  0.845  1.0
  Cl  Cl28  1  0.583  0.838  0.000  1.0
  Cl  Cl29  1  0.376  0.430  0.655  1.0
  Cl  Cl30  1  0.417  0.255  0.500  1.0
  Cl  Cl31  1  0.838  0.255  1.000  1.0
  Cl  Cl32  1  0.430  0.054  0.345  1.0
  Cl  Cl33  1  0.776  0.970  0.341  1.0
  Cl  Cl34  1  0.583  0.745  0.500  1.0
  Cl  Cl35  1  0.806  0.030  0.841  1.0
  Cl  Cl36  1  0.255  0.838  0.500  1.0
  Cl  Cl37  1  0.624  0.570  0.345  1.0
  Cl  Cl38  1  0.946  0.570  0.155  1.0
  Cl  Cl39  1  0.946  0.376  0.345  1.0
  Cl  Cl40  1  0.776  0.806  0.159  1.0
  Cl  Cl41  1  0.970  0.776  0.841  1.0
  Cl  Cl42  1  0.570  0.946  0.655  1.0
  Cl  Cl43  1  0.224  0.194  0.841  1.0
  Cl  Cl44  1  0.255  0.417  0.000  1.0
  Cl  Cl45  1  0.194  0.224  0.341  1.0
  Cl  Cl46  1  0.376  0.946  0.845  1.0
  Cl  Cl47  1  0.054  0.430  0.845  1.0
  Cl  Cl48  1  0.806  0.776  0.659  1.0
  Cl  Cl49  1  0.430  0.376  0.155  1.0
  Cl  Cl50  1  0.030  0.806  0.341  1.0
  Cl  Cl51  1  0.745  0.583  1.000  1.0
[/CIF]
.