data_Cs2GeCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   7.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2GeCl6
_chemical_formula_sum   'Cs2 Ge1 Cl6'
_cell_volume   295.59
_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  0.93  0.93  0.93  1.0
  Cs  Cs1  1  0.64  0.64  0.64  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.29  0.24  0.29  1.0
  Cl  Cl4  1  0.29  0.29  0.34  1.0
  Cl  Cl5  1  0.29  0.29  0.24  1.0
  Cl  Cl6  1  0.29  0.34  0.29  1.0
  Cl  Cl7  1  0.24  0.29  0.29  1.0
  Cl  Cl8  1  0.34  0.29  0.29  1.0

data_Cs2GeCl6
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   18.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cs2GeCl6
_chemical_formula_sum   'Cs6 Ge3 Cl18'
_cell_volume   886.78
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.07  1.0
  Cs  Cs1  3  0.0  0.0  0.36  1.0
  Ge  Ge2  3  0.0  0.0  0.0  1.0
  Cl  Cl3  9  0.02  0.03  0.7  1.0
  Cl  Cl4  9  0.03  0.02  0.73  1.0

Cs Cs Ge Cl Cl Cl Cl Cl Cl
Cs2GeCl6 crystallizes in the trigonal R3m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a single-bond geometry to four equivalent Cs(2) and one Ge(1) atom. There are three shorter (4.40 Å) and one longer (5.26 Å) Cs(1)-Cs(2) bond length. The Cs(1)-Ge(1) bond length is 1.27 Å. In the second Cs site, Cs(2) is bonded in a 16-coordinate geometry to four equivalent Cs(1), three equivalent Ge(1), three equivalent Cl(1), and six equivalent Cl(2) atoms. All Cs(2)-Ge(1) bond lengths are 4.34 Å. All Cs(2)-Cl(1) bond lengths are 4.16 Å. All Cs(2)-Cl(2) bond lengths are 4.21 Å. Ge(1) is bonded in a single-bond geometry to one Cs(1) and three equivalent Cs(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cl(1), and two equivalent Cl(2) atoms. Both Cl(1)-Cl(1) bond lengths are 0.39 Å. Both Cl(1)-Cl(2) bond lengths are 0.67 Å. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to two equivalent Cs(2), two equivalent Cl(1), and two equivalent Cl(2) atoms. Both Cl(2)-Cl(2) bond lengths are 0.39 Å.