data_Pr(LuS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.0
_cell_length_b   3.95
_cell_length_c   11.21
_cell_angle_alpha   90.0
_cell_angle_beta   109.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr(LuS2)3
_chemical_formula_sum   'Pr2 Lu6 S12'
_cell_volume   460.28
_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
  Pr  Pr0  1  0.34  0.96  0.08  1.0
  Pr  Pr1  1  0.0  0.99  0.52  1.0
  Lu  Lu2  1  0.97  0.96  0.0  1.0
  Lu  Lu3  1  0.03  0.99  0.0  1.0
  Lu  Lu4  1  0.16  0.96  0.54  1.0
  Lu  Lu5  1  0.18  0.99  0.06  1.0
  Lu  Lu6  1  0.12  0.96  0.22  1.0
  Lu  Lu7  1  0.22  0.99  0.37  1.0
  S  S8  1  0.35  0.96  0.18  1.0
  S  S9  1  0.99  0.99  0.41  1.0
  S  S10  1  0.4  0.96  0.66  1.0
  S  S11  1  0.94  0.99  0.93  1.0
  S  S12  1  0.78  0.96  0.91  1.0
  S  S13  1  0.56  0.99  0.69  1.0
  S  S14  1  0.45  0.96  0.28  1.0
  S  S15  1  0.9  0.99  0.32  1.0
  S  S16  1  0.72  0.96  0.16  1.0
  S  S17  1  0.63  0.99  0.44  1.0
  S  S18  1  0.31  0.96  0.21  1.0
  S  S19  1  0.04  0.99  0.38  1.0

data_Pr(LuS2)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   11.0
_cell_length_c   11.21
_cell_angle_alpha   109.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr(LuS2)3
_chemical_formula_sum   'Pr2 Lu6 S12'
_cell_volume   460.28
_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
  Pr  Pr0  1  0.01  1.0  0.48  1.0
  Pr  Pr1  1  0.04  0.66  0.92  1.0
  Lu  Lu2  1  0.01  0.78  0.63  1.0
  Lu  Lu3  1  0.01  0.82  0.94  1.0
  Lu  Lu4  1  0.01  0.97  -0.0  1.0
  Lu  Lu5  1  0.04  0.03  -0.0  1.0
  Lu  Lu6  1  0.04  0.84  0.46  1.0
  Lu  Lu7  1  0.04  0.88  0.78  1.0
  S  S8  1  0.01  0.01  0.59  1.0
  S  S9  1  0.01  0.06  0.07  1.0
  S  S10  1  0.01  0.1  0.68  1.0
  S  S11  1  0.01  0.37  0.56  1.0
  S  S12  1  0.01  0.44  0.31  1.0
  S  S13  1  0.01  0.96  0.62  1.0
  S  S14  1  0.04  0.22  0.09  1.0
  S  S15  1  0.04  0.28  0.84  1.0
  S  S16  1  0.04  0.55  0.72  1.0
  S  S17  1  0.04  0.6  0.34  1.0
  S  S18  1  0.04  0.65  0.82  1.0
  S  S19  1  0.04  0.69  0.79  1.0

Pr Pr Lu Lu Lu Lu Lu Lu S S S S S S S S S S S S
Lu2PrS5LuS crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Lu2PrS5 cluster and one LuS cluster. In the Lu2PrS5 cluster, there are four inequivalent Lu sites. In the first Lu site, Lu(3) is bonded in a 3-coordinate geometry to one Pr(2), one S(12), and one S(3) atom. The Lu(3)-Pr(2) bond length is 1.69 Å. The Lu(3)-S(12) bond length is 1.85 Å. The Lu(3)-S(3) bond length is 2.59 Å. In the second Lu site, Lu(4) is bonded in a 1-coordinate geometry to one S(11) atom. The Lu(4)-S(11) bond length is 1.85 Å. In the third Lu site, Lu(5) is bonded in a 3-coordinate geometry to one Lu(6), one S(11), and one S(12) atom. The Lu(5)-Lu(6) bond length is 1.71 Å. The Lu(5)-S(11) bond length is 2.07 Å. The Lu(5)-S(12) bond length is 2.32 Å. In the fourth Lu site, Lu(6) is bonded in a 3-coordinate geometry to one Lu(5), one S(11), one S(12), and one S(3) atom. The Lu(6)-S(11) bond length is 2.32 Å. The Lu(6)-S(12) bond length is 2.07 Å. The Lu(6)-S(3) bond length is 3.21 Å. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a single-bond geometry to one S(1) atom. The Pr(1)-S(1) bond length is 1.16 Å. In the second Pr site, Pr(2) is bonded in a single-bond geometry to one Lu(3) and one S(2) atom. The Pr(2)-S(2) bond length is 1.16 Å. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Pr(1); one S(11); and one S(7,8) atom. The S(1)-S(11) bond length is 0.66 Å. The S(1)-S(7,8) bond length is 1.20 Å. In the second S site, S(2) is bonded in a 2-coordinate geometry to one Pr(2); one S(12); and one S(7,8) atom. The S(2)-S(12) bond length is 0.66 Å. The S(2)-S(7,8) bond length is 1.20 Å. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Lu(3), one Lu(6), and one S(6) atom. The S(3)-S(6) bond length is 1.67 Å. In the fourth S site, S(6) is bonded in a single-bond geometry to one S(3) atom. In the fifth S site, S(7,8) is bonded in a 1-coordinate geometry to one S(1) and one S(10) atom. The S(7,8)-S(10) bond length is 2.23 Å. In the sixth S site, S(9) is bonded in a single-bond geometry to one S(7,8) atom. The S(9)-S(7,8) bond length is 2.23 Å. In the seventh S site, S(10) is bonded in a single-bond geometry to one S(7,8) atom. In the eighth S site, S(11) is bonded in a 4-coordinate geometry to one Lu(4), one Lu(5), one Lu(6), and one S(1) atom. In the ninth S site, S(12) is bonded in a 4-coordinate geometry to one Lu(3), one Lu(5), one Lu(6), and one S(2) atom. In the LuS cluster, there are two inequivalent Lu sites. In the first Lu site, Lu(2) is bonded in a distorted single-bond geometry to one Lu(1) atom. The Lu(2)-Lu(1) bond length is 0.64 Å. In the second Lu site, Lu(1) is bonded in a distorted single-bond geometry to one Lu(2), one S(4), and one S(5) atom. The Lu(1)-S(4) bond length is 0.74 Å. The Lu(1)-S(5) bond length is 2.01 Å. There are two inequivalent S sites. In the first S site, S(4) is bonded in a single-bond geometry to one Lu(1) and one S(5) atom. The S(4)-S(5) bond length is 1.67 Å. In the second S site, S(5) is bonded in a 2-coordinate geometry to one Lu(1) and one S(4) atom.