The material described by Cs5(TeCl6)3NH4 crystallizes in the trigonal P3m1 space group. The structure consists of one ammonium molecule inside a Cs5(TeCl6)3 framework. In the Cs5(TeCl6)3 framework, there are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to three equivalent Cl(2), three equivalent Cl(5), and six equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(2)Cl12 cuboctahedra, corners with three equivalent Cs(3)Cl12 cuboctahedra, corners with six equivalent Cs(1)Cl12 cuboctahedra, faces with three equivalent Cs(4)Cl12 cuboctahedra,  a faceface with one Te(2)Cl6 octahedra, and faces with three equivalent Te(1)Cl6 octahedra. In the second Cs site, Cs(2) is bonded to three equivalent Cl(2), three equivalent Cl(3), and six equivalent Cl(4) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(1)Cl12 cuboctahedra, corners with three equivalent Cs(3)Cl12 cuboctahedra, corners with six equivalent Cs(2)Cl12 cuboctahedra, faces with three equivalent Cs(4)Cl12 cuboctahedra, faces with three equivalent Cs(5)Cl12 cuboctahedra,  a faceface with one Te(3)Cl6 octahedra, and faces with three equivalent Te(2)Cl6 octahedra. In the third Cs site, Cs(3) is bonded to three equivalent Cl(3), three equivalent Cl(5), and six equivalent Cl(6) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(1)Cl12 cuboctahedra, corners with three equivalent Cs(2)Cl12 cuboctahedra, corners with six equivalent Cs(3)Cl12 cuboctahedra, faces with three equivalent Cs(5)Cl12 cuboctahedra,  a faceface with one Te(1)Cl6 octahedra, and faces with three equivalent Te(3)Cl6 octahedra. In the fourth Cs site, Cs(4) is bonded to three equivalent Cl(1), three equivalent Cl(4), and six equivalent Cl(2) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(5)Cl12 cuboctahedra, corners with six equivalent Cs(4)Cl12 cuboctahedra, faces with three equivalent Cs(1)Cl12 cuboctahedra, faces with three equivalent Cs(2)Cl12 cuboctahedra,  a faceface with one Te(1)Cl6 octahedra, and faces with three equivalent Te(2)Cl6 octahedra. In the fifth Cs site, Cs(5) is bonded to three equivalent Cl(4), three equivalent Cl(6), and six equivalent Cl(3) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(4)Cl12 cuboctahedra, corners with six equivalent Cs(5)Cl12 cuboctahedra, faces with three equivalent Cs(2)Cl12 cuboctahedra, faces with three equivalent Cs(3)Cl12 cuboctahedra,  a faceface with one Te(2)Cl6 octahedra, and faces with three equivalent Te(3)Cl6 octahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Cl(1) and three equivalent Cl(5) atoms to form TeCl6 octahedra that share  a faceface with one Cs(3)Cl12 cuboctahedra,  a faceface with one Cs(4)Cl12 cuboctahedra, and faces with three equivalent Cs(1)Cl12 cuboctahedra. In the second Te site, Te(2) is bonded to three equivalent Cl(2) and three equivalent Cl(4) atoms to form TeCl6 octahedra that share  a faceface with one Cs(1)Cl12 cuboctahedra,  a faceface with one Cs(5)Cl12 cuboctahedra, faces with three equivalent Cs(2)Cl12 cuboctahedra, and faces with three equivalent Cs(4)Cl12 cuboctahedra. In the third Te site, Te(3) is bonded to three equivalent Cl(3) and three equivalent Cl(6) atoms to form TeCl6 octahedra that share  a faceface with one Cs(2)Cl12 cuboctahedra, faces with three equivalent Cs(3)Cl12 cuboctahedra, and faces with three equivalent Cs(5)Cl12 cuboctahedra. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Cs(4), two equivalent Cs(1), and one Te(1) atom. In the second Cl site, Cl(2) is bonded to one Cs(1), one Cs(2), two equivalent Cs(4), and one Te(2) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4Te square pyramids. In the third Cl site, Cl(3) is bonded to one Cs(2), one Cs(3), two equivalent Cs(5), and one Te(3) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4Te square pyramids. In the fourth Cl site, Cl(4) is bonded to one Cs(4), one Cs(5), two equivalent Cs(2), and one Te(2) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4Te square pyramids. In the fifth Cl site, Cl(5) is bonded in a distorted T-shaped geometry to one Cs(1), one Cs(3), and one Te(1) atom. In the sixth Cl site, Cl(6) is bonded in a distorted rectangular see-saw-like geometry to one Cs(5), two equivalent Cs(3), and one Te(3) atom. is represented by the CIF card [CIF]
data_Cs5Te3H4NCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   18.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   902.899
_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  0.333  0.667  0.917  1.0
  Cs  Cs1  1  0.000  0.000  0.583  1.0
  Cs  Cs2  1  0.667  0.333  0.250  1.0
  Cs  Cs3  1  0.667  0.333  0.750  1.0
  Cs  Cs4  1  0.333  0.667  0.417  1.0
  Te  Te5  1  0.667  0.333  0.000  1.0
  Te  Te6  1  0.333  0.667  0.667  1.0
  Te  Te7  1  0.000  0.000  0.333  1.0
  H  H8  1  0.075  0.150  0.102  1.0
  H  H9  1  0.850  0.925  0.102  1.0
  H  H10  1  0.000  0.000  0.027  1.0
  H  H11  1  0.075  0.925  0.102  1.0
  N  N12  1  0.000  0.000  0.084  1.0
  Cl  Cl13  1  0.828  0.172  0.920  1.0
  Cl  Cl14  1  0.172  0.344  0.747  1.0
  Cl  Cl15  1  0.656  0.828  0.747  1.0
  Cl  Cl16  1  0.343  0.172  0.920  1.0
  Cl  Cl17  1  0.839  0.677  0.414  1.0
  Cl  Cl18  1  0.495  0.505  0.586  1.0
  Cl  Cl19  1  0.172  0.828  0.747  1.0
  Cl  Cl20  1  0.828  0.657  0.920  1.0
  Cl  Cl21  1  0.323  0.161  0.414  1.0
  Cl  Cl22  1  0.011  0.505  0.586  1.0
  Cl  Cl23  1  0.505  0.010  0.081  1.0
  Cl  Cl24  1  0.161  0.839  0.252  1.0
  Cl  Cl25  1  0.839  0.161  0.414  1.0
  Cl  Cl26  1  0.495  0.989  0.586  1.0
  Cl  Cl27  1  0.990  0.495  0.081  1.0
  Cl  Cl28  1  0.677  0.839  0.252  1.0
  Cl  Cl29  1  0.505  0.495  0.081  1.0
  Cl  Cl30  1  0.161  0.323  0.252  1.0
[/CIF]
.
The material described by Cs5(TeCl6)3NH4 crystallizes in the trigonal P3m1 space group. The structure consists of one ammonium molecule inside a Cs5(TeCl6)3 framework. In the Cs5(TeCl6)3 framework, there are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to three equivalent Cl(2), three equivalent Cl(5), and six equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(2)Cl12 cuboctahedra, corners with three equivalent Cs(3)Cl12 cuboctahedra, corners with six equivalent Cs(1)Cl12 cuboctahedra, faces with three equivalent Cs(4)Cl12 cuboctahedra,  a faceface with one Te(2)Cl6 octahedra, and faces with three equivalent Te(1)Cl6 octahedra. In the second Cs site, Cs(2) is bonded to three equivalent Cl(2), three equivalent Cl(3), and six equivalent Cl(4) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(1)Cl12 cuboctahedra, corners with three equivalent Cs(3)Cl12 cuboctahedra, corners with six equivalent Cs(2)Cl12 cuboctahedra, faces with three equivalent Cs(4)Cl12 cuboctahedra, faces with three equivalent Cs(5)Cl12 cuboctahedra,  a faceface with one Te(3)Cl6 octahedra, and faces with three equivalent Te(2)Cl6 octahedra. In the third Cs site, Cs(3) is bonded to three equivalent Cl(3), three equivalent Cl(5), and six equivalent Cl(6) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(1)Cl12 cuboctahedra, corners with three equivalent Cs(2)Cl12 cuboctahedra, corners with six equivalent Cs(3)Cl12 cuboctahedra, faces with three equivalent Cs(5)Cl12 cuboctahedra,  a faceface with one Te(1)Cl6 octahedra, and faces with three equivalent Te(3)Cl6 octahedra. In the fourth Cs site, Cs(4) is bonded to three equivalent Cl(1), three equivalent Cl(4), and six equivalent Cl(2) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(5)Cl12 cuboctahedra, corners with six equivalent Cs(4)Cl12 cuboctahedra, faces with three equivalent Cs(1)Cl12 cuboctahedra, faces with three equivalent Cs(2)Cl12 cuboctahedra,  a faceface with one Te(1)Cl6 octahedra, and faces with three equivalent Te(2)Cl6 octahedra. In the fifth Cs site, Cs(5) is bonded to three equivalent Cl(4), three equivalent Cl(6), and six equivalent Cl(3) atoms to form CsCl12 cuboctahedra that share corners with three equivalent Cs(4)Cl12 cuboctahedra, corners with six equivalent Cs(5)Cl12 cuboctahedra, faces with three equivalent Cs(2)Cl12 cuboctahedra, faces with three equivalent Cs(3)Cl12 cuboctahedra,  a faceface with one Te(2)Cl6 octahedra, and faces with three equivalent Te(3)Cl6 octahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Cl(1) and three equivalent Cl(5) atoms to form TeCl6 octahedra that share  a faceface with one Cs(3)Cl12 cuboctahedra,  a faceface with one Cs(4)Cl12 cuboctahedra, and faces with three equivalent Cs(1)Cl12 cuboctahedra. In the second Te site, Te(2) is bonded to three equivalent Cl(2) and three equivalent Cl(4) atoms to form TeCl6 octahedra that share  a faceface with one Cs(1)Cl12 cuboctahedra,  a faceface with one Cs(5)Cl12 cuboctahedra, faces with three equivalent Cs(2)Cl12 cuboctahedra, and faces with three equivalent Cs(4)Cl12 cuboctahedra. In the third Te site, Te(3) is bonded to three equivalent Cl(3) and three equivalent Cl(6) atoms to form TeCl6 octahedra that share  a faceface with one Cs(2)Cl12 cuboctahedra, faces with three equivalent Cs(3)Cl12 cuboctahedra, and faces with three equivalent Cs(5)Cl12 cuboctahedra. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Cs(4), two equivalent Cs(1), and one Te(1) atom. In the second Cl site, Cl(2) is bonded to one Cs(1), one Cs(2), two equivalent Cs(4), and one Te(2) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4Te square pyramids. In the third Cl site, Cl(3) is bonded to one Cs(2), one Cs(3), two equivalent Cs(5), and one Te(3) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4Te square pyramids. In the fourth Cl site, Cl(4) is bonded to one Cs(4), one Cs(5), two equivalent Cs(2), and one Te(2) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4Te square pyramids. In the fifth Cl site, Cl(5) is bonded in a distorted T-shaped geometry to one Cs(1), one Cs(3), and one Te(1) atom. In the sixth Cl site, Cl(6) is bonded in a distorted rectangular see-saw-like geometry to one Cs(5), two equivalent Cs(3), and one Te(3) atom. is represented by the CIF card [CIF]
data_Cs5Te3H4NCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   18.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   902.899
_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  0.333  0.667  0.917  1.0
  Cs  Cs1  1  0.000  0.000  0.583  1.0
  Cs  Cs2  1  0.667  0.333  0.250  1.0
  Cs  Cs3  1  0.667  0.333  0.750  1.0
  Cs  Cs4  1  0.333  0.667  0.417  1.0
  Te  Te5  1  0.667  0.333  0.000  1.0
  Te  Te6  1  0.333  0.667  0.667  1.0
  Te  Te7  1  0.000  0.000  0.333  1.0
  H  H8  1  0.075  0.150  0.102  1.0
  H  H9  1  0.850  0.925  0.102  1.0
  H  H10  1  0.000  0.000  0.027  1.0
  H  H11  1  0.075  0.925  0.102  1.0
  N  N12  1  0.000  0.000  0.084  1.0
  Cl  Cl13  1  0.828  0.172  0.920  1.0
  Cl  Cl14  1  0.172  0.344  0.747  1.0
  Cl  Cl15  1  0.656  0.828  0.747  1.0
  Cl  Cl16  1  0.343  0.172  0.920  1.0
  Cl  Cl17  1  0.839  0.677  0.414  1.0
  Cl  Cl18  1  0.495  0.505  0.586  1.0
  Cl  Cl19  1  0.172  0.828  0.747  1.0
  Cl  Cl20  1  0.828  0.657  0.920  1.0
  Cl  Cl21  1  0.323  0.161  0.414  1.0
  Cl  Cl22  1  0.011  0.505  0.586  1.0
  Cl  Cl23  1  0.505  0.010  0.081  1.0
  Cl  Cl24  1  0.161  0.839  0.252  1.0
  Cl  Cl25  1  0.839  0.161  0.414  1.0
  Cl  Cl26  1  0.495  0.989  0.586  1.0
  Cl  Cl27  1  0.990  0.495  0.081  1.0
  Cl  Cl28  1  0.677  0.839  0.252  1.0
  Cl  Cl29  1  0.505  0.495  0.081  1.0
  Cl  Cl30  1  0.161  0.323  0.252  1.0
[/CIF]
.