data_Ge3Rh2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Rh2S3
_chemical_formula_sum   'Ge12 Rh8 S12'
_cell_volume   602.81
_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
  Ge  Ge0  1  0.43  0.22  0.47  1.0
  Ge  Ge1  1  0.01  0.22  0.98  1.0
  Ge  Ge2  1  0.01  0.22  0.47  1.0
  Ge  Ge3  1  0.43  0.22  0.98  1.0
  Ge  Ge4  1  0.47  0.43  0.22  1.0
  Ge  Ge5  1  0.98  0.01  0.22  1.0
  Ge  Ge6  1  0.47  0.01  0.22  1.0
  Ge  Ge7  1  0.98  0.43  0.22  1.0
  Ge  Ge8  1  0.22  0.47  0.43  1.0
  Ge  Ge9  1  0.22  0.98  0.01  1.0
  Ge  Ge10  1  0.22  0.47  0.01  1.0
  Ge  Ge11  1  0.22  0.98  0.43  1.0
  Rh  Rh12  1  0.99  0.45  0.45  1.0
  Rh  Rh13  1  0.45  0.45  0.99  1.0
  Rh  Rh14  1  0.45  0.99  0.45  1.0
  Rh  Rh15  1  0.99  0.99  0.99  1.0
  Rh  Rh16  1  0.45  0.99  0.99  1.0
  Rh  Rh17  1  0.99  0.99  0.45  1.0
  Rh  Rh18  1  0.99  0.45  0.99  1.0
  Rh  Rh19  1  0.45  0.45  0.45  1.0
  S  S20  1  0.66  0.0  0.05  1.0
  S  S21  1  0.79  0.0  0.4  1.0
  S  S22  1  0.79  0.0  0.05  1.0
  S  S23  1  0.66  0.0  0.4  1.0
  S  S24  1  0.05  0.66  0.0  1.0
  S  S25  1  0.4  0.79  0.0  1.0
  S  S26  1  0.05  0.79  0.0  1.0
  S  S27  1  0.4  0.66  0.0  1.0
  S  S28  1  0.0  0.05  0.66  1.0
  S  S29  1  0.0  0.4  0.79  1.0
  S  S30  1  0.0  0.05  0.79  1.0
  S  S31  1  0.0  0.4  0.66  1.0

data_Ge3Rh2S3
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.95
_cell_length_b   11.95
_cell_length_c   14.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ge3Rh2S3
_chemical_formula_sum   'Ge36 Rh24 S36'
_cell_volume   1808.42
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Ge  Ge0  9  0.01  0.78  0.21  1.0
  Ge  Ge1  9  0.06  0.91  0.37  1.0
  Ge  Ge2  9  0.11  0.44  0.9  1.0
  Ge  Ge3  9  0.15  0.06  0.07  1.0
  Rh  Rh4  9  0.03  0.51  0.97  1.0
  Rh  Rh5  9  0.18  0.36  0.81  1.0
  Rh  Rh6  3  0.0  0.0  0.45  1.0
  Rh  Rh7  3  0.0  0.0  0.99  1.0
  S  S8  9  0.0  0.4  0.4  1.0
  S  S9  9  0.05  0.35  0.35  1.0
  S  S10  9  0.05  0.16  0.95  1.0
  S  S11  9  0.09  0.52  0.57  1.0

Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Rh Rh Rh Rh Rh Rh Rh Rh S S S S S S S S S S S S
Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Rh Rh Rh Rh Rh Rh Rh Rh S S S S S S S S S S S S 0 14 o - o 0 19 o o o 1 30 o o o 1 15 - - o 1 29 o o o 1 18 - o o 2 17 - - o 2 28 o o o 2 12 - o o 2 31 o o o 3 16 o - o 3 13 o o o 4 13 o o - 4 19 o o o 5 22 o o o 5 21 o o o 5 15 o - - 5 17 o - o 6 16 o - - 6 14 o - o 6 20 o o o 6 23 o o o 7 18 o o - 7 12 o o o 8 12 - o o 8 19 o o o 9 26 o o o 9 15 - o - 9 25 o o o 9 16 o o - 10 18 - o - 10 24 o o o 10 13 o o - 10 27 o o o 11 17 - o o 11 14 o o o 12 31 + o o 13 27 o o + 14 23 o + o 15 22 o + + 15 26 + o + 15 30 + + o 16 25 o o + 16 20 o + + 17 21 o + o 17 28 + + o 18 29 + o o 18 24 + o + 20 22 o o o 21 23 o o o 24 26 o o o 25 27 o o o 28 30 o o o 29 31 o o o 
Rh2Ge3S3 crystallizes in the trigonal R3 space group. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a rectangular see-saw-like geometry to one Ge(1), one Ge(3), one Ge(4), and one S(4) atom. The Rh(1)-Ge(1) bond length is 1.95 Å. The Rh(1)-Ge(3) bond length is 1.95 Å. The Rh(1)-Ge(4) bond length is 1.95 Å. The Rh(1)-S(4) bond length is 1.81 Å. In the second Rh site, Rh(2) is bonded to three equivalent Ge(2) and three equivalent S(3) atoms to form distorted corner-sharing RhGe3S3 octahedra. All Rh(2)-Ge(2) bond lengths are 1.95 Å. All Rh(2)-S(3) bond lengths are 1.81 Å. In the third Rh site, Rh(3) is bonded to one Ge(2), one Ge(3), one Ge(4), one S(1), and one S(2) atom to form corner-sharing RhGe3S2 square pyramids. The corner-sharing octahedral tilt angles are 11°. The Rh(3)-Ge(2) bond length is 1.95 Å. The Rh(3)-Ge(3) bond length is 1.95 Å. The Rh(3)-Ge(4) bond length is 1.95 Å. The Rh(3)-S(1) bond length is 1.81 Å. The Rh(3)-S(2) bond length is 1.81 Å. In the fourth Rh site, Rh(4) is bonded in a distorted T-shaped geometry to three equivalent Ge(1) atoms. All Rh(4)-Ge(1) bond lengths are 1.95 Å. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted linear geometry to one Rh(1) and one Rh(4) atom. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one Rh(2), one Rh(3), one S(2), and one S(3) atom. The Ge(2)-S(2) bond length is 2.22 Å. The Ge(2)-S(3) bond length is 2.22 Å. In the third Ge site, Ge(3) is bonded in a 4-coordinate geometry to one Rh(1), one Rh(3), one S(1), and one S(4) atom. The Ge(3)-S(1) bond length is 2.22 Å. The Ge(3)-S(4) bond length is 2.22 Å. In the fourth Ge site, Ge(4) is bonded in a distorted linear geometry to one Rh(1) and one Rh(3) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Rh(3), one Ge(3), and one S(3) atom. The S(1)-S(3) bond length is 1.07 Å. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Rh(3), one Ge(2), and one S(4) atom. The S(2)-S(4) bond length is 1.07 Å. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Rh(2), one Ge(2), and one S(1) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Rh(1), one Ge(3), and one S(2) atom.