The compound described by BaPr(SnS3)2 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(5), two equivalent S(6), and two equivalent S(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(10), two equivalent S(11), two equivalent S(8), and two equivalent S(9) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), two equivalent S(5), two equivalent S(6), and two equivalent S(8) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(10), two equivalent S(11), two equivalent S(12), and two equivalent S(3) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(2), two equivalent S(7), and two equivalent S(9) atoms to form distorted SnS5 square pyramids that share corners with two equivalent Sn(4)S5 trigonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Sn(1)S5 square pyramids. In the second Sn site, Sn(2) is bonded to one S(5), one S(7), two equivalent S(1), and two equivalent S(2) atoms to form SnS6 octahedra that share edges with two equivalent Sn(2)S6 octahedra and edges with two equivalent Sn(1)S5 square pyramids. In the third Sn site, Sn(3) is bonded to one S(10), one S(6), one S(8), and two equivalent S(4) atoms to form corner-sharing SnS5 trigonal bipyramids. In the fourth Sn site, Sn(4) is bonded to one S(11), one S(12), one S(9), and two equivalent S(3) atoms to form corner-sharing SnS5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), one Pr(1), and two equivalent Sn(2) atoms to form distorted SBa2PrSn2 trigonal bipyramids that share corners with two equivalent S(6)Ba2Pr2Sn square pyramids, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with four equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with three equivalent S(2)PrSn3 trigonal pyramids, edges with two equivalent S(6)Ba2Pr2Sn square pyramids, edges with two equivalent S(7)Ba2Sn3 square pyramids, edges with four equivalent S(5)Ba2Pr2Sn trigonal bipyramids, and  an edgeedge with one S(2)PrSn3 trigonal pyramid. In the second S site, S(2) is bonded to one Pr(1), one Sn(1), and two equivalent Sn(2) atoms to form SPrSn3 trigonal pyramids that share corners with two equivalent S(6)Ba2Pr2Sn square pyramids, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with three equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with two equivalent S(2)PrSn3 trigonal pyramids, edges with two equivalent S(7)Ba2Sn3 square pyramids,  an edgeedge with one S(1)Ba2PrSn2 trigonal bipyramid, and edges with two equivalent S(5)Ba2Pr2Sn trigonal bipyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Pr(2), and two equivalent Sn(4) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ba(1), one Pr(2), and two equivalent Sn(3) atoms. In the fifth S site, S(5) is bonded to two equivalent Ba(1), two equivalent Pr(1), and one Sn(2) atom to form distorted SBa2Pr2Sn trigonal bipyramids that share corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with three equivalent S(7)Ba2Sn3 square pyramids, corners with four equivalent S(6)Ba2Pr2Sn square pyramids,  an edgeedge with one S(8)Ba2Pr2Sn square pyramid,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(6)Ba2Pr2Sn square pyramids, edges with two equivalent S(5)Ba2Pr2Sn trigonal bipyramids, edges with four equivalent S(1)Ba2PrSn2 trigonal bipyramids, and edges with two equivalent S(2)PrSn3 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Ba(1), two equivalent Pr(1), and one Sn(3) atom to form SBa2Pr2Sn square pyramids that share  a cornercorner with one S(10)Ba2Pr2Sn square pyramid, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with four equivalent S(5)Ba2Pr2Sn trigonal bipyramids, corners with two equivalent S(2)PrSn3 trigonal pyramids,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(6)Ba2Pr2Sn square pyramids, edges with two equivalent S(5)Ba2Pr2Sn trigonal bipyramids, edges with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, and  a faceface with one S(8)Ba2Pr2Sn square pyramid. In the seventh S site, S(7) is bonded to two equivalent Ba(1), one Sn(2), and two equivalent Sn(1) atoms to form SBa2Sn3 square pyramids that share corners with two equivalent S(6)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with three equivalent S(5)Ba2Pr2Sn trigonal bipyramids,  an edgeedge with one S(6)Ba2Pr2Sn square pyramid,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(7)Ba2Sn3 square pyramids,  an edgeedge with one S(5)Ba2Pr2Sn trigonal bipyramid, edges with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, and edges with two equivalent S(2)PrSn3 trigonal pyramids. In the eighth S site, S(8) is bonded to two equivalent Ba(2), two equivalent Pr(1), and one Sn(3) atom to form SBa2Pr2Sn square pyramids that share corners with two equivalent S(10)Ba2Pr2Sn square pyramids, corners with two equivalent S(11)Ba2Pr2Sn square pyramids, corners with two equivalent S(6)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with two equivalent S(5)Ba2Pr2Sn trigonal bipyramids, corners with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with two equivalent S(2)PrSn3 trigonal pyramids,  an edgeedge with one S(11)Ba2Pr2Sn square pyramid,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(8)Ba2Pr2Sn square pyramids,  an edgeedge with one S(5)Ba2Pr2Sn trigonal bipyramid,  a faceface with one S(10)Ba2Pr2Sn square pyramid, and  a faceface with one S(6)Ba2Pr2Sn square pyramid. In the ninth S site, S(9) is bonded to two equivalent Ba(2), one Sn(4), and two equivalent Sn(1) atoms to form SBa2Sn3 square pyramids that share corners with two equivalent S(10)Ba2Pr2Sn square pyramids, corners with two equivalent S(11)Ba2Pr2Sn square pyramids, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with two equivalent S(2)PrSn3 trigonal pyramids,  an edgeedge with one S(10)Ba2Pr2Sn square pyramid,  an edgeedge with one S(8)Ba2Pr2Sn square pyramid,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(9)Ba2Sn3 square pyramids, and  a faceface with one S(11)Ba2Pr2Sn square pyramid. In the tenth S site, S(10) is bonded to two equivalent Ba(2), two equivalent Pr(2), and one Sn(3) atom to form distorted SBa2Pr2Sn square pyramids that share  a cornercorner with one S(6)Ba2Pr2Sn square pyramid, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with four equivalent S(11)Ba2Pr2Sn square pyramids,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(10)Ba2Pr2Sn square pyramids, edges with two equivalent S(11)Ba2Pr2Sn square pyramids, and  a faceface with one S(8)Ba2Pr2Sn square pyramid. In the eleventh S site, S(11) is bonded to two equivalent Ba(2), two equivalent Pr(2), and one Sn(4) atom to form SBa2Pr2Sn square pyramids that share corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with four equivalent S(10)Ba2Pr2Sn square pyramids,  an edgeedge with one S(8)Ba2Pr2Sn square pyramid, edges with two equivalent S(10)Ba2Pr2Sn square pyramids, edges with two equivalent S(11)Ba2Pr2Sn square pyramids, and  a faceface with one S(9)Ba2Sn3 square pyramid. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to two equivalent Pr(2) and one Sn(4) atom. is represented by the CIF card [CIF]
data_BaPr(SnS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.061
_cell_length_b   12.097
_cell_length_c   20.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   996.095
_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
  Ba  Ba0  1  0.500  0.682  0.921  1.0
  Ba  Ba1  1  0.500  0.182  0.079  1.0
  Ba  Ba2  1  0.500  0.247  0.638  1.0
  Ba  Ba3  1  0.500  0.747  0.362  1.0
  Pr  Pr4  1  0.500  0.316  0.879  1.0
  Pr  Pr5  1  0.500  0.816  0.121  1.0
  Pr  Pr6  1  0.500  0.128  0.418  1.0
  Pr  Pr7  1  0.500  0.627  0.582  1.0
  Sn  Sn8  1  0.500  0.896  0.745  1.0
  Sn  Sn9  1  0.500  0.396  0.255  1.0
  Sn  Sn10  1  0.000  0.006  0.907  1.0
  Sn  Sn11  1  0.000  0.506  0.093  1.0
  Sn  Sn12  1  0.000  0.499  0.751  1.0
  Sn  Sn13  1  0.000  0.999  0.249  1.0
  Sn  Sn14  1  0.000  0.454  0.424  1.0
  Sn  Sn15  1  0.000  0.954  0.576  1.0
  S  S16  1  0.500  0.940  0.983  1.0
  S  S17  1  0.500  0.440  0.017  1.0
  S  S18  1  0.500  0.078  0.833  1.0
  S  S19  1  0.500  0.578  0.167  1.0
  S  S20  1  0.500  0.403  0.492  1.0
  S  S21  1  0.500  0.903  0.508  1.0
  S  S22  1  0.500  0.121  0.258  1.0
  S  S23  1  0.500  0.621  0.742  1.0
  S  S24  1  0.000  0.202  0.957  1.0
  S  S25  1  0.000  0.702  0.043  1.0
  S  S26  1  0.000  0.494  0.878  1.0
  S  S27  1  0.000  0.994  0.122  1.0
  S  S28  1  0.000  0.831  0.838  1.0
  S  S29  1  0.000  0.331  0.162  1.0
  S  S30  1  0.000  0.296  0.769  1.0
  S  S31  1  0.000  0.796  0.231  1.0
  S  S32  1  0.000  0.049  0.682  1.0
  S  S33  1  0.000  0.549  0.318  1.0
  S  S34  1  0.000  0.464  0.628  1.0
  S  S35  1  0.000  0.964  0.372  1.0
  S  S36  1  0.000  0.148  0.523  1.0
  S  S37  1  0.000  0.648  0.477  1.0
  S  S38  1  0.000  0.271  0.362  1.0
  S  S39  1  0.000  0.771  0.638  1.0
[/CIF]
.
The compound described by BaPr(SnS3)2 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(5), two equivalent S(6), and two equivalent S(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(10), two equivalent S(11), two equivalent S(8), and two equivalent S(9) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), two equivalent S(5), two equivalent S(6), and two equivalent S(8) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(10), two equivalent S(11), two equivalent S(12), and two equivalent S(3) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(2), two equivalent S(7), and two equivalent S(9) atoms to form distorted SnS5 square pyramids that share corners with two equivalent Sn(4)S5 trigonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Sn(1)S5 square pyramids. In the second Sn site, Sn(2) is bonded to one S(5), one S(7), two equivalent S(1), and two equivalent S(2) atoms to form SnS6 octahedra that share edges with two equivalent Sn(2)S6 octahedra and edges with two equivalent Sn(1)S5 square pyramids. In the third Sn site, Sn(3) is bonded to one S(10), one S(6), one S(8), and two equivalent S(4) atoms to form corner-sharing SnS5 trigonal bipyramids. In the fourth Sn site, Sn(4) is bonded to one S(11), one S(12), one S(9), and two equivalent S(3) atoms to form corner-sharing SnS5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), one Pr(1), and two equivalent Sn(2) atoms to form distorted SBa2PrSn2 trigonal bipyramids that share corners with two equivalent S(6)Ba2Pr2Sn square pyramids, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with four equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with three equivalent S(2)PrSn3 trigonal pyramids, edges with two equivalent S(6)Ba2Pr2Sn square pyramids, edges with two equivalent S(7)Ba2Sn3 square pyramids, edges with four equivalent S(5)Ba2Pr2Sn trigonal bipyramids, and  an edgeedge with one S(2)PrSn3 trigonal pyramid. In the second S site, S(2) is bonded to one Pr(1), one Sn(1), and two equivalent Sn(2) atoms to form SPrSn3 trigonal pyramids that share corners with two equivalent S(6)Ba2Pr2Sn square pyramids, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with three equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with two equivalent S(2)PrSn3 trigonal pyramids, edges with two equivalent S(7)Ba2Sn3 square pyramids,  an edgeedge with one S(1)Ba2PrSn2 trigonal bipyramid, and edges with two equivalent S(5)Ba2Pr2Sn trigonal bipyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Pr(2), and two equivalent Sn(4) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ba(1), one Pr(2), and two equivalent Sn(3) atoms. In the fifth S site, S(5) is bonded to two equivalent Ba(1), two equivalent Pr(1), and one Sn(2) atom to form distorted SBa2Pr2Sn trigonal bipyramids that share corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with three equivalent S(7)Ba2Sn3 square pyramids, corners with four equivalent S(6)Ba2Pr2Sn square pyramids,  an edgeedge with one S(8)Ba2Pr2Sn square pyramid,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(6)Ba2Pr2Sn square pyramids, edges with two equivalent S(5)Ba2Pr2Sn trigonal bipyramids, edges with four equivalent S(1)Ba2PrSn2 trigonal bipyramids, and edges with two equivalent S(2)PrSn3 trigonal pyramids. In the sixth S site, S(6) is bonded to two equivalent Ba(1), two equivalent Pr(1), and one Sn(3) atom to form SBa2Pr2Sn square pyramids that share  a cornercorner with one S(10)Ba2Pr2Sn square pyramid, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with four equivalent S(5)Ba2Pr2Sn trigonal bipyramids, corners with two equivalent S(2)PrSn3 trigonal pyramids,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(6)Ba2Pr2Sn square pyramids, edges with two equivalent S(5)Ba2Pr2Sn trigonal bipyramids, edges with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, and  a faceface with one S(8)Ba2Pr2Sn square pyramid. In the seventh S site, S(7) is bonded to two equivalent Ba(1), one Sn(2), and two equivalent Sn(1) atoms to form SBa2Sn3 square pyramids that share corners with two equivalent S(6)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with three equivalent S(5)Ba2Pr2Sn trigonal bipyramids,  an edgeedge with one S(6)Ba2Pr2Sn square pyramid,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(7)Ba2Sn3 square pyramids,  an edgeedge with one S(5)Ba2Pr2Sn trigonal bipyramid, edges with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, and edges with two equivalent S(2)PrSn3 trigonal pyramids. In the eighth S site, S(8) is bonded to two equivalent Ba(2), two equivalent Pr(1), and one Sn(3) atom to form SBa2Pr2Sn square pyramids that share corners with two equivalent S(10)Ba2Pr2Sn square pyramids, corners with two equivalent S(11)Ba2Pr2Sn square pyramids, corners with two equivalent S(6)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with two equivalent S(5)Ba2Pr2Sn trigonal bipyramids, corners with two equivalent S(1)Ba2PrSn2 trigonal bipyramids, corners with two equivalent S(2)PrSn3 trigonal pyramids,  an edgeedge with one S(11)Ba2Pr2Sn square pyramid,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(8)Ba2Pr2Sn square pyramids,  an edgeedge with one S(5)Ba2Pr2Sn trigonal bipyramid,  a faceface with one S(10)Ba2Pr2Sn square pyramid, and  a faceface with one S(6)Ba2Pr2Sn square pyramid. In the ninth S site, S(9) is bonded to two equivalent Ba(2), one Sn(4), and two equivalent Sn(1) atoms to form SBa2Sn3 square pyramids that share corners with two equivalent S(10)Ba2Pr2Sn square pyramids, corners with two equivalent S(11)Ba2Pr2Sn square pyramids, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(7)Ba2Sn3 square pyramids, corners with two equivalent S(2)PrSn3 trigonal pyramids,  an edgeedge with one S(10)Ba2Pr2Sn square pyramid,  an edgeedge with one S(8)Ba2Pr2Sn square pyramid,  an edgeedge with one S(7)Ba2Sn3 square pyramid, edges with two equivalent S(9)Ba2Sn3 square pyramids, and  a faceface with one S(11)Ba2Pr2Sn square pyramid. In the tenth S site, S(10) is bonded to two equivalent Ba(2), two equivalent Pr(2), and one Sn(3) atom to form distorted SBa2Pr2Sn square pyramids that share  a cornercorner with one S(6)Ba2Pr2Sn square pyramid, corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with four equivalent S(11)Ba2Pr2Sn square pyramids,  an edgeedge with one S(9)Ba2Sn3 square pyramid, edges with two equivalent S(10)Ba2Pr2Sn square pyramids, edges with two equivalent S(11)Ba2Pr2Sn square pyramids, and  a faceface with one S(8)Ba2Pr2Sn square pyramid. In the eleventh S site, S(11) is bonded to two equivalent Ba(2), two equivalent Pr(2), and one Sn(4) atom to form SBa2Pr2Sn square pyramids that share corners with two equivalent S(8)Ba2Pr2Sn square pyramids, corners with two equivalent S(9)Ba2Sn3 square pyramids, corners with four equivalent S(10)Ba2Pr2Sn square pyramids,  an edgeedge with one S(8)Ba2Pr2Sn square pyramid, edges with two equivalent S(10)Ba2Pr2Sn square pyramids, edges with two equivalent S(11)Ba2Pr2Sn square pyramids, and  a faceface with one S(9)Ba2Sn3 square pyramid. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to two equivalent Pr(2) and one Sn(4) atom. is represented by the CIF card [CIF]
data_BaPr(SnS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.061
_cell_length_b   12.097
_cell_length_c   20.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   996.095
_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
  Ba  Ba0  1  0.500  0.682  0.921  1.0
  Ba  Ba1  1  0.500  0.182  0.079  1.0
  Ba  Ba2  1  0.500  0.247  0.638  1.0
  Ba  Ba3  1  0.500  0.747  0.362  1.0
  Pr  Pr4  1  0.500  0.316  0.879  1.0
  Pr  Pr5  1  0.500  0.816  0.121  1.0
  Pr  Pr6  1  0.500  0.128  0.418  1.0
  Pr  Pr7  1  0.500  0.627  0.582  1.0
  Sn  Sn8  1  0.500  0.896  0.745  1.0
  Sn  Sn9  1  0.500  0.396  0.255  1.0
  Sn  Sn10  1  0.000  0.006  0.907  1.0
  Sn  Sn11  1  0.000  0.506  0.093  1.0
  Sn  Sn12  1  0.000  0.499  0.751  1.0
  Sn  Sn13  1  0.000  0.999  0.249  1.0
  Sn  Sn14  1  0.000  0.454  0.424  1.0
  Sn  Sn15  1  0.000  0.954  0.576  1.0
  S  S16  1  0.500  0.940  0.983  1.0
  S  S17  1  0.500  0.440  0.017  1.0
  S  S18  1  0.500  0.078  0.833  1.0
  S  S19  1  0.500  0.578  0.167  1.0
  S  S20  1  0.500  0.403  0.492  1.0
  S  S21  1  0.500  0.903  0.508  1.0
  S  S22  1  0.500  0.121  0.258  1.0
  S  S23  1  0.500  0.621  0.742  1.0
  S  S24  1  0.000  0.202  0.957  1.0
  S  S25  1  0.000  0.702  0.043  1.0
  S  S26  1  0.000  0.494  0.878  1.0
  S  S27  1  0.000  0.994  0.122  1.0
  S  S28  1  0.000  0.831  0.838  1.0
  S  S29  1  0.000  0.331  0.162  1.0
  S  S30  1  0.000  0.296  0.769  1.0
  S  S31  1  0.000  0.796  0.231  1.0
  S  S32  1  0.000  0.049  0.682  1.0
  S  S33  1  0.000  0.549  0.318  1.0
  S  S34  1  0.000  0.464  0.628  1.0
  S  S35  1  0.000  0.964  0.372  1.0
  S  S36  1  0.000  0.148  0.523  1.0
  S  S37  1  0.000  0.648  0.477  1.0
  S  S38  1  0.000  0.271  0.362  1.0
  S  S39  1  0.000  0.771  0.638  1.0
[/CIF]
.