data_Bi2Rh3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   8.13
_cell_angle_alpha   123.74
_cell_angle_beta   123.74
_cell_angle_gamma   72.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Rh3S2
_chemical_formula_sum   'Bi4 Rh6 S4'
_cell_volume   284.84
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.03  0.0  0.44  1.0
  Bi  Bi1  1  0.34  0.0  0.46  1.0
  Bi  Bi2  1  0.55  0.0  0.43  1.0
  Bi  Bi3  1  0.86  0.0  0.45  1.0
  Rh  Rh4  1  0.87  0.1  0.0  1.0
  Rh  Rh5  1  0.74  0.12  0.0  1.0
  Rh  Rh6  1  0.87  0.9  0.0  1.0
  Rh  Rh7  1  0.74  0.88  0.0  1.0
  Rh  Rh8  1  0.45  0.0  0.42  1.0
  Rh  Rh9  1  0.44  0.0  0.48  1.0
  S  S10  1  0.43  0.28  0.81  1.0
  S  S11  1  0.43  0.72  0.81  1.0
  S  S12  1  0.46  0.28  0.09  1.0
  S  S13  1  0.46  0.72  0.09  1.0

data_Bi2Rh3S2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   7.24
_cell_angle_alpha   109.07
_cell_angle_beta   111.07
_cell_angle_gamma   107.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Rh3S2
_chemical_formula_sum   'Bi4 Rh6 S4'
_cell_volume   284.84
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.11  0.0  0.57  1.0
  Bi  Bi1  1  0.4  0.0  0.55  1.0
  Bi  Bi2  1  0.59  0.0  0.56  1.0
  Bi  Bi3  1  0.88  0.0  0.54  1.0
  Rh  Rh4  1  0.03  0.0  0.58  1.0
  Rh  Rh5  1  0.74  0.12  0.0  1.0
  Rh  Rh6  1  0.74  0.88  0.0  1.0
  Rh  Rh7  1  0.87  0.1  0.0  1.0
  Rh  Rh8  1  0.87  0.9  0.0  1.0
  Rh  Rh9  1  0.96  0.0  0.52  1.0
  S  S10  1  0.37  0.72  0.91  1.0
  S  S11  1  0.37  0.28  0.91  1.0
  S  S12  1  0.63  0.28  0.19  1.0
  S  S13  1  0.63  0.72  0.19  1.0

Bi Bi Bi Bi Rh Rh Rh Rh Rh Rh S S S S
Rh3Bi2S2 crystallizes in the triclinic P1 space group. There are six inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 2-coordinate geometry to one Rh(2) and one Rh(3) atom. The Rh(1)-Rh(2) bond length is 0.88 Å. The Rh(1)-Rh(3) bond length is 1.47 Å. In the second Rh site, Rh(2) is bonded in a 5-coordinate geometry to one Rh(1), one Rh(3), one Rh(4), one S(1), and one S(3) atom. The Rh(2)-Rh(3) bond length is 1.58 Å. The Rh(2)-Rh(4) bond length is 1.72 Å. The Rh(2)-S(1) bond length is 2.27 Å. The Rh(2)-S(3) bond length is 2.30 Å. In the third Rh site, Rh(3) is bonded in a 5-coordinate geometry to one Rh(1), one Rh(2), one Rh(4), one Bi(1), and one Bi(2) atom. The Rh(3)-Rh(4) bond length is 0.96 Å. The Rh(3)-Bi(1) bond length is 2.80 Å. The Rh(3)-Bi(2) bond length is 3.21 Å. In the fourth Rh site, Rh(4) is bonded in a 2-coordinate geometry to one Rh(2), one Rh(3), one Bi(1), one Bi(4), and one S(2) atom. The Rh(4)-Bi(1) bond length is 2.71 Å. The Rh(4)-Bi(4) bond length is 2.92 Å. The Rh(4)-S(2) bond length is 2.07 Å. In the fifth Rh site, Rh(5) is bonded in a bent 120 degrees geometry to one Rh(6), one Bi(3), and one S(4) atom. The Rh(5)-Rh(6) bond length is 0.53 Å. The Rh(5)-Bi(3) bond length is 0.62 Å. The Rh(5)-S(4) bond length is 2.31 Å. In the sixth Rh site, Rh(6) is bonded in a bent 120 degrees geometry to one Rh(5), one Bi(2), and one S(1) atom. The Rh(6)-Bi(2) bond length is 0.62 Å. The Rh(6)-S(1) bond length is 2.31 Å. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one Rh(3), one Rh(4), one Bi(2), one Bi(4), and one S(1) atom. The Bi(1)-Bi(2) bond length is 2.12 Å. The Bi(1)-Bi(4) bond length is 1.32 Å. The Bi(1)-S(1) bond length is 2.89 Å. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Rh(3), one Rh(6), one Bi(1), and one S(1) atom. The Bi(2)-S(1) bond length is 2.21 Å. In the third Bi site, Bi(3) is bonded in a single-bond geometry to one Rh(5), one Bi(4), and one S(4) atom. The Bi(3)-Bi(4) bond length is 2.12 Å. The Bi(3)-S(4) bond length is 2.21 Å. In the fourth Bi site, Bi(4) is bonded in a 4-coordinate geometry to one Rh(4), one Bi(1), one Bi(3), and one S(4) atom. The Bi(4)-S(4) bond length is 2.89 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Rh(2), one Rh(6), one Bi(1), one Bi(2), one S(3), and one S(4) atom. The S(1)-S(3) bond length is 2.16 Å. The S(1)-S(4) bond length is 2.64 Å. In the second S site, S(2) is bonded in a distorted L-shaped geometry to one Rh(4) and one S(4) atom. The S(2)-S(4) bond length is 2.16 Å. In the third S site, S(3) is bonded in a 2-coordinate geometry to one Rh(2) and one S(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Rh(5), one Bi(3), one Bi(4), one S(1), and one S(2) atom.