The structure described by Cs3GeTe3 crystallizes in the monoclinic C2/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 7-coordinate geometry to two equivalent Te(1), two equivalent Te(3), and three equivalent Te(2) atoms. Ge(1) is bonded to one Ge(1), one Te(1), one Te(2), and one Te(3) atom to form GeGeTe3 tetrahedra that share  a cornercorner with one Te(1)Cs6Ge pentagonal bipyramid and  a cornercorner with one Te(3)Cs6Ge pentagonal bipyramid. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cs(1), one Cs(3), two equivalent Cs(2), two equivalent Cs(4), and one Ge(1) atom to form distorted TeCs6Ge pentagonal bipyramids that share corners with two equivalent Te(1)Cs6Ge pentagonal bipyramids, corners with four equivalent Te(3)Cs6Ge pentagonal bipyramids,  a cornercorner with one Ge(1)GeTe3 tetrahedra, edges with two equivalent Te(1)Cs6Ge pentagonal bipyramids, edges with three equivalent Te(3)Cs6Ge pentagonal bipyramids, and  a faceface with one Te(3)Cs6Ge pentagonal bipyramid. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), three equivalent Cs(4), and one Ge(1) atom. In the third Te site, Te(3) is bonded to two equivalent Cs(2), two equivalent Cs(3), two equivalent Cs(4), and one Ge(1) atom to form distorted TeCs6Ge pentagonal bipyramids that share  a cornercorner with one Te(3)Cs6Ge pentagonal bipyramid, corners with four equivalent Te(1)Cs6Ge pentagonal bipyramids,  a cornercorner with one Ge(1)GeTe3 tetrahedra, edges with three equivalent Te(1)Cs6Ge pentagonal bipyramids, edges with three equivalent Te(3)Cs6Ge pentagonal bipyramids,  a faceface with one Te(1)Cs6Ge pentagonal bipyramid, and  a faceface with one Te(3)Cs6Ge pentagonal bipyramid. is represented by the CIF card [CIF]
data_Cs3GeTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.292
_cell_length_b   11.291
_cell_length_c   10.321
_cell_angle_alpha   84.934
_cell_angle_beta   84.936
_cell_angle_gamma   80.147
_symmetry_Int_Tables_number   1
_cell_volume   1287.815
_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  0.397  0.603  0.750  1.0
  Cs  Cs1  1  0.603  0.397  0.250  1.0
  Cs  Cs2  1  0.757  0.810  0.687  1.0
  Cs  Cs3  1  0.190  0.243  0.813  1.0
  Cs  Cs4  1  0.243  0.190  0.313  1.0
  Cs  Cs5  1  0.810  0.757  0.187  1.0
  Cs  Cs6  1  0.083  0.917  0.750  1.0
  Cs  Cs7  1  0.917  0.083  0.250  1.0
  Cs  Cs8  1  0.401  0.784  0.371  1.0
  Cs  Cs9  1  0.216  0.599  0.129  1.0
  Cs  Cs10  1  0.599  0.216  0.629  1.0
  Cs  Cs11  1  0.784  0.401  0.871  1.0
  Ge  Ge12  1  0.440  0.925  0.961  1.0
  Ge  Ge13  1  0.075  0.560  0.539  1.0
  Ge  Ge14  1  0.560  0.075  0.039  1.0
  Ge  Ge15  1  0.925  0.440  0.461  1.0
  Te  Te16  1  0.422  0.954  0.708  1.0
  Te  Te17  1  0.046  0.578  0.792  1.0
  Te  Te18  1  0.578  0.046  0.292  1.0
  Te  Te19  1  0.954  0.422  0.208  1.0
  Te  Te20  1  0.704  0.546  0.522  1.0
  Te  Te21  1  0.454  0.296  0.978  1.0
  Te  Te22  1  0.296  0.454  0.478  1.0
  Te  Te23  1  0.546  0.704  0.022  1.0
  Te  Te24  1  0.224  0.951  0.075  1.0
  Te  Te25  1  0.049  0.776  0.425  1.0
  Te  Te26  1  0.776  0.049  0.925  1.0
  Te  Te27  1  0.951  0.224  0.575  1.0
[/CIF]
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The structure described by Cs3GeTe3 crystallizes in the monoclinic C2/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to two equivalent Te(1) and four equivalent Te(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 7-coordinate geometry to two equivalent Te(1), two equivalent Te(3), and three equivalent Te(2) atoms. Ge(1) is bonded to one Ge(1), one Te(1), one Te(2), and one Te(3) atom to form GeGeTe3 tetrahedra that share  a cornercorner with one Te(1)Cs6Ge pentagonal bipyramid and  a cornercorner with one Te(3)Cs6Ge pentagonal bipyramid. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cs(1), one Cs(3), two equivalent Cs(2), two equivalent Cs(4), and one Ge(1) atom to form distorted TeCs6Ge pentagonal bipyramids that share corners with two equivalent Te(1)Cs6Ge pentagonal bipyramids, corners with four equivalent Te(3)Cs6Ge pentagonal bipyramids,  a cornercorner with one Ge(1)GeTe3 tetrahedra, edges with two equivalent Te(1)Cs6Ge pentagonal bipyramids, edges with three equivalent Te(3)Cs6Ge pentagonal bipyramids, and  a faceface with one Te(3)Cs6Ge pentagonal bipyramid. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), three equivalent Cs(4), and one Ge(1) atom. In the third Te site, Te(3) is bonded to two equivalent Cs(2), two equivalent Cs(3), two equivalent Cs(4), and one Ge(1) atom to form distorted TeCs6Ge pentagonal bipyramids that share  a cornercorner with one Te(3)Cs6Ge pentagonal bipyramid, corners with four equivalent Te(1)Cs6Ge pentagonal bipyramids,  a cornercorner with one Ge(1)GeTe3 tetrahedra, edges with three equivalent Te(1)Cs6Ge pentagonal bipyramids, edges with three equivalent Te(3)Cs6Ge pentagonal bipyramids,  a faceface with one Te(1)Cs6Ge pentagonal bipyramid, and  a faceface with one Te(3)Cs6Ge pentagonal bipyramid. is represented by the CIF card [CIF]
data_Cs3GeTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.292
_cell_length_b   11.291
_cell_length_c   10.321
_cell_angle_alpha   84.934
_cell_angle_beta   84.936
_cell_angle_gamma   80.147
_symmetry_Int_Tables_number   1
_cell_volume   1287.815
_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  0.397  0.603  0.750  1.0
  Cs  Cs1  1  0.603  0.397  0.250  1.0
  Cs  Cs2  1  0.757  0.810  0.687  1.0
  Cs  Cs3  1  0.190  0.243  0.813  1.0
  Cs  Cs4  1  0.243  0.190  0.313  1.0
  Cs  Cs5  1  0.810  0.757  0.187  1.0
  Cs  Cs6  1  0.083  0.917  0.750  1.0
  Cs  Cs7  1  0.917  0.083  0.250  1.0
  Cs  Cs8  1  0.401  0.784  0.371  1.0
  Cs  Cs9  1  0.216  0.599  0.129  1.0
  Cs  Cs10  1  0.599  0.216  0.629  1.0
  Cs  Cs11  1  0.784  0.401  0.871  1.0
  Ge  Ge12  1  0.440  0.925  0.961  1.0
  Ge  Ge13  1  0.075  0.560  0.539  1.0
  Ge  Ge14  1  0.560  0.075  0.039  1.0
  Ge  Ge15  1  0.925  0.440  0.461  1.0
  Te  Te16  1  0.422  0.954  0.708  1.0
  Te  Te17  1  0.046  0.578  0.792  1.0
  Te  Te18  1  0.578  0.046  0.292  1.0
  Te  Te19  1  0.954  0.422  0.208  1.0
  Te  Te20  1  0.704  0.546  0.522  1.0
  Te  Te21  1  0.454  0.296  0.978  1.0
  Te  Te22  1  0.296  0.454  0.478  1.0
  Te  Te23  1  0.546  0.704  0.022  1.0
  Te  Te24  1  0.224  0.951  0.075  1.0
  Te  Te25  1  0.049  0.776  0.425  1.0
  Te  Te26  1  0.776  0.049  0.925  1.0
  Te  Te27  1  0.951  0.224  0.575  1.0
[/CIF]
.