data_Rb2Ge2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.74
_cell_length_b   11.74
_cell_length_c   9.62
_cell_angle_alpha   99.92
_cell_angle_beta   99.92
_cell_angle_gamma   90.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2Ge2Se5
_chemical_formula_sum   'Rb8 Ge8 Se20'
_cell_volume   1285.41
_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
  Rb  Rb8  1  0.76  0.69  0.73  1.0
  Rb  Rb9  1  0.93  0.31  0.07  1.0
  Rb  Rb10  1  0.41  0.83  0.09  1.0
  Rb  Rb11  1  0.24  0.17  0.75  1.0
  Rb  Rb12  1  0.0  0.83  0.58  1.0
  Rb  Rb13  1  0.83  0.17  0.24  1.0
  Rb  Rb14  1  0.31  0.69  0.26  1.0
  Rb  Rb15  1  0.48  0.31  0.59  1.0
  Ge  Ge0  1  0.09  0.05  0.27  1.0
  Ge  Ge1  1  0.2  0.82  0.58  1.0
  Ge  Ge2  1  0.98  0.05  0.72  1.0
  Ge  Ge3  1  0.87  0.82  0.41  1.0
  Ge  Ge4  1  0.37  0.18  0.92  1.0
  Ge  Ge5  1  0.26  0.95  0.61  1.0
  Ge  Ge6  1  0.04  0.18  0.74  1.0
  Ge  Ge7  1  0.15  0.95  0.05  1.0
  Se  Se16  1  0.81  0.0  0.05  1.0
  Se  Se17  1  0.7  0.41  0.87  1.0
  Se  Se18  1  0.53  0.58  1.0  1.0
  Se  Se19  1  0.9  0.07  0.16  1.0
  Se  Se20  1  0.62  0.39  0.23  1.0
  Se  Se21  1  0.98  1.0  0.39  1.0
  Se  Se22  1  0.8  0.39  0.44  1.0
  Se  Se23  1  0.73  0.93  0.83  1.0
  Se  Se24  1  0.53  0.25  1.0  1.0
  Se  Se25  1  0.37  0.41  0.12  1.0
  Se  Se26  1  0.87  0.59  0.21  1.0
  Se  Se27  1  0.71  0.75  0.33  1.0
  Se  Se28  1  0.51  0.07  0.5  1.0
  Se  Se29  1  0.44  0.61  0.89  1.0
  Se  Se30  1  0.26  0.0  0.94  1.0
  Se  Se31  1  0.62  0.61  0.1  1.0
  Se  Se32  1  0.34  0.93  0.17  1.0
  Se  Se33  1  0.71  0.42  0.33  1.0
  Se  Se34  1  0.54  0.59  0.46  1.0
  Se  Se35  1  0.43  1.0  0.27  1.0

data_Rb2Ge2Se5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   9.62
_cell_length_b   11.74
_cell_length_c   11.74
_cell_angle_alpha   90.1
_cell_angle_beta   99.92
_cell_angle_gamma   99.92
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Rb2Ge2Se5
_chemical_formula_sum   'Rb8 Ge8 Se20'
_cell_volume   1285.41
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Rb  Rb0  2  0.08  0.71  0.17  1.0
  Rb  Rb1  2  0.09  0.19  0.69  1.0
  Rb  Rb2  2  0.41  0.88  0.83  1.0
  Rb  Rb3  2  0.43  0.36  0.31  1.0
  Ge  Ge4  2  0.11  0.97  0.05  1.0
  Ge  Ge5  2  0.24  0.75  0.82  1.0
  Ge  Ge6  2  0.42  0.08  0.82  1.0
  Ge  Ge7  2  0.45  0.14  0.95  1.0
  Se  Se8  2  0.0  0.22  0.93  1.0
  Se  Se9  2  0.04  0.75  0.59  1.0
  Se  Se10  2  0.06  0.5  0.39  1.0
  Se  Se11  2  0.11  0.31  1.0  1.0
  Se  Se12  2  0.17  0.59  0.42  1.0
  Se  Se13  2  0.17  0.59  0.75  1.0
  Se  Se14  2  0.23  0.86  1.0  1.0
  Se  Se15  2  0.27  0.68  0.39  1.0
  Se  Se16  2  0.29  0.42  0.59  1.0
  Se  Se17  2  0.34  0.39  0.07  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Ge Ge Ge Ge Ge Ge Ge Ge Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se
Rb Rb Rb Rb Rb Rb Rb Rb Ge Ge Ge Ge Ge Ge Ge Ge Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se 0 34 o o o 0 23 o o o 0 17 o o o 1 19 o o o 1 5 o o o 1 17 o o - 1 26 o o o 1 14 + o - 2 32 o o o 2 6 o o o 3 14 o o o 3 12 o o o 4 11 - o o 4 9 o o o 5 19 o o o 6 9 o o o 6 25 o o o 6 34 o o o 6 32 o o o 7 28 o o o 7 17 o o o 7 34 o o o 8 21 - - o 8 19 - o o 8 15 o - o 9 13 o o o 10 14 + o o 11 27 o o o 11 26 o o o 12 24 o o o 12 25 o o + 15 32 o o o 15 30 o + - 16 19 o o o 16 23 o - - 17 20 o o + 17 24 o o o 17 31 o o + 17 29 o o o 17 18 o o o 17 26 o o + 18 29 o o o 18 31 o o + 18 25 o o + 20 33 o o o 20 25 o o o 20 34 o o o 22 33 o o o 22 34 o o o 24 25 o o + 25 34 o o o 26 33 o o o 26 31 o o o 26 27 o o o 27 34 o o o 28 35 o - o 31 34 o o o 32 35 o o o 33 34 o o o 
Rb2Ge2Se5 crystallizes in the triclinic P-1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 3-coordinate geometry to one Se(8) and two equivalent Se(2) atoms. The Rb(1)-Se(8) bond length is 2.88 Å. There is one shorter (3.39 Å) and one longer (3.78 Å) Rb(1)-Se(2) bond length. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one Ge(2), one Se(10), one Se(2), and one Se(4) atom. The Rb(2)-Ge(2) bond length is 3.72 Å. The Rb(2)-Se(10) bond length is 3.38 Å. The Rb(2)-Se(2) bond length is 3.37 Å. The Rb(2)-Se(4) bond length is 3.17 Å. In the third Rb site, Rb(3) is bonded in a single-bond geometry to one Se(1), one Se(4), one Se(6), and one Se(7) atom. The Rb(3)-Se(1) bond length is 2.40 Å. The Rb(3)-Se(4) bond length is 1.62 Å. The Rb(3)-Se(6) bond length is 3.04 Å. The Rb(3)-Se(7) bond length is 2.97 Å. In the fourth Rb site, Rb(4) is bonded in a 4-coordinate geometry to one Ge(2), one Ge(3), one Ge(4), and one Se(6) atom. The Rb(4)-Ge(2) bond length is 2.31 Å. The Rb(4)-Ge(3) bond length is 2.66 Å. The Rb(4)-Ge(4) bond length is 2.04 Å. The Rb(4)-Se(6) bond length is 2.86 Å. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Se(4) and one Se(6) atom. The Ge(1)-Se(4) bond length is 2.28 Å. The Ge(1)-Se(6) bond length is 1.97 Å. In the second Ge site, Ge(2) is bonded in a distorted trigonal non-coplanar geometry to one Rb(2), one Rb(4), and one Ge(3) atom. The Ge(2)-Ge(3) bond length is 1.65 Å. In the third Ge site, Ge(3) is bonded in a 2-coordinate geometry to one Rb(4), one Ge(2), and one Se(6) atom. The Ge(3)-Se(6) bond length is 3.10 Å. In the fourth Ge site, Ge(4) is bonded in a 3-coordinate geometry to one Rb(4), one Se(6), and one Se(9) atom. The Ge(4)-Se(6) bond length is 2.47 Å. The Ge(4)-Se(9) bond length is 2.05 Å. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Rb(3), one Se(4), and one Se(8) atom. The Se(1)-Se(4) bond length is 1.52 Å. The Se(1)-Se(8) bond length is 2.24 Å. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Rb(2) and two equivalent Rb(1) atoms. In the third Se site, Se(3) is bonded in a bent 150 degrees geometry to one Se(5) and one Se(7) atom. The Se(3)-Se(5) bond length is 1.33 Å. The Se(3)-Se(7) bond length is 1.42 Å. In the fourth Se site, Se(4) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), one Ge(1), one Se(1), and one Se(6) atom. The Se(4)-Se(6) bond length is 2.50 Å. In the fifth Se site, Se(5) is bonded in a distorted single-bond geometry to one Se(3) atom. In the sixth Se site, Se(6) is bonded in a 6-coordinate geometry to one Rb(3), one Rb(4), one Ge(1), one Ge(3), one Ge(4), and one Se(4) atom. In the seventh Se site, Se(7) is bonded in an L-shaped geometry to one Rb(3) and one Se(3) atom. In the eighth Se site, Se(8) is bonded in a distorted bent 120 degrees geometry to one Rb(1) and one Se(1) atom. In the ninth Se site, Se(9) is bonded in a distorted single-bond geometry to one Ge(4) atom. In the tenth Se site, Se(10) is bonded in a 1-coordinate geometry to one Rb(2) atom.