The material described by BaSn2S3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent Sn(3), one S(3), two equivalent S(2), two equivalent S(5), and two equivalent S(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Sn(1), one Sn(2), one S(1), one S(3), one S(5), one S(6), and three equivalent S(4) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one Ba(2), one S(1), one S(2), and one S(5) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one S(3), and two equivalent S(4) atoms. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one Ba(1), one S(5), and two equivalent S(6) atoms. In the fourth Sn site, Sn(4) is bonded in a distorted T-shaped geometry to one S(1) and two equivalent S(4) atoms. There are six inequivalent S sites. In the first S site, S(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), and two equivalent Sn(3) atoms. In the second S site, S(1) is bonded to two equivalent Ba(2), one Sn(4), and two equivalent Sn(1) atoms to form distorted SBa2Sn3 trigonal bipyramids that share corners with four equivalent S(4)Ba3Sn2 trigonal bipyramids, corners with four equivalent S(5)Ba2Sn2 trigonal pyramids,  an edgeedge with one S(3)Ba3Sn tetrahedra, and edges with two equivalent S(4)Ba3Sn2 trigonal bipyramids. In the third S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Sn(1) atoms. In the fourth S site, S(3) is bonded to one Ba(1), two equivalent Ba(2), and one Sn(2) atom to form distorted SBa3Sn tetrahedra that share corners with four equivalent S(4)Ba3Sn2 trigonal bipyramids, corners with four equivalent S(5)Ba2Sn2 trigonal pyramids,  an edgeedge with one S(1)Ba2Sn3 trigonal bipyramid, and edges with two equivalent S(4)Ba3Sn2 trigonal bipyramids. In the fifth S site, S(4) is bonded to three equivalent Ba(2), one Sn(2), and one Sn(4) atom to form SBa3Sn2 trigonal bipyramids that share corners with two equivalent S(3)Ba3Sn tetrahedra, corners with two equivalent S(1)Ba2Sn3 trigonal bipyramids, corners with two equivalent S(4)Ba3Sn2 trigonal bipyramids, corners with three equivalent S(5)Ba2Sn2 trigonal pyramids,  an edgeedge with one S(3)Ba3Sn tetrahedra,  an edgeedge with one S(1)Ba2Sn3 trigonal bipyramid, and edges with three equivalent S(4)Ba3Sn2 trigonal bipyramids. In the sixth S site, S(5) is bonded to one Ba(1), one Ba(2), one Sn(1), and one Sn(3) atom to form SBa2Sn2 trigonal pyramids that share corners with two equivalent S(3)Ba3Sn tetrahedra, corners with two equivalent S(1)Ba2Sn3 trigonal bipyramids, corners with three equivalent S(4)Ba3Sn2 trigonal bipyramids, and  a cornercorner with one S(5)Ba2Sn2 trigonal pyramid. is represented by the CIF file [CIF]
data_BaSn2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.718
_cell_length_b   6.230
_cell_length_c   11.988
_cell_angle_alpha   79.206
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1006.510
_cell_formula_units_Z   6
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  0.750  0.884  0.477  1.0
  Ba  Ba1  1  0.250  0.116  0.523  1.0
  Ba  Ba2  1  0.423  0.207  0.130  1.0
  Ba  Ba3  1  0.923  0.793  0.870  1.0
  Ba  Ba4  1  0.577  0.793  0.870  1.0
  Ba  Ba5  1  0.077  0.207  0.130  1.0
  Sn  Sn6  1  0.884  0.549  0.227  1.0
  Sn  Sn7  1  0.250  0.626  0.205  1.0
  Sn  Sn8  1  0.451  0.775  0.449  1.0
  Sn  Sn9  1  0.951  0.225  0.551  1.0
  Sn  Sn10  1  0.549  0.225  0.551  1.0
  Sn  Sn11  1  0.049  0.775  0.449  1.0
  Sn  Sn12  1  0.750  0.158  0.100  1.0
  Sn  Sn13  1  0.250  0.842  0.900  1.0
  Sn  Sn14  1  0.384  0.451  0.773  1.0
  Sn  Sn15  1  0.116  0.451  0.773  1.0
  Sn  Sn16  1  0.616  0.549  0.227  1.0
  Sn  Sn17  1  0.750  0.374  0.795  1.0
  S  S18  1  0.750  0.753  0.072  1.0
  S  S19  1  0.250  0.247  0.928  1.0
  S  S20  1  0.750  0.434  0.376  1.0
  S  S21  1  0.250  0.566  0.624  1.0
  S  S22  1  0.750  0.033  0.721  1.0
  S  S23  1  0.250  0.967  0.279  1.0
  S  S24  1  0.391  0.744  0.050  1.0
  S  S25  1  0.891  0.256  0.950  1.0
  S  S26  1  0.609  0.256  0.950  1.0
  S  S27  1  0.109  0.744  0.050  1.0
  S  S28  1  0.421  0.091  0.709  1.0
  S  S29  1  0.921  0.909  0.291  1.0
  S  S30  1  0.579  0.909  0.291  1.0
  S  S31  1  0.079  0.091  0.709  1.0
  S  S32  1  0.071  0.407  0.388  1.0
  S  S33  1  0.929  0.593  0.612  1.0
  S  S34  1  0.571  0.593  0.612  1.0
  S  S35  1  0.429  0.407  0.388  1.0
[/CIF]
.
The material described by BaSn2S3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent Sn(3), one S(3), two equivalent S(2), two equivalent S(5), and two equivalent S(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Sn(1), one Sn(2), one S(1), one S(3), one S(5), one S(6), and three equivalent S(4) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one Ba(2), one S(1), one S(2), and one S(5) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one S(3), and two equivalent S(4) atoms. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one Ba(1), one S(5), and two equivalent S(6) atoms. In the fourth Sn site, Sn(4) is bonded in a distorted T-shaped geometry to one S(1) and two equivalent S(4) atoms. There are six inequivalent S sites. In the first S site, S(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), and two equivalent Sn(3) atoms. In the second S site, S(1) is bonded to two equivalent Ba(2), one Sn(4), and two equivalent Sn(1) atoms to form distorted SBa2Sn3 trigonal bipyramids that share corners with four equivalent S(4)Ba3Sn2 trigonal bipyramids, corners with four equivalent S(5)Ba2Sn2 trigonal pyramids,  an edgeedge with one S(3)Ba3Sn tetrahedra, and edges with two equivalent S(4)Ba3Sn2 trigonal bipyramids. In the third S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Sn(1) atoms. In the fourth S site, S(3) is bonded to one Ba(1), two equivalent Ba(2), and one Sn(2) atom to form distorted SBa3Sn tetrahedra that share corners with four equivalent S(4)Ba3Sn2 trigonal bipyramids, corners with four equivalent S(5)Ba2Sn2 trigonal pyramids,  an edgeedge with one S(1)Ba2Sn3 trigonal bipyramid, and edges with two equivalent S(4)Ba3Sn2 trigonal bipyramids. In the fifth S site, S(4) is bonded to three equivalent Ba(2), one Sn(2), and one Sn(4) atom to form SBa3Sn2 trigonal bipyramids that share corners with two equivalent S(3)Ba3Sn tetrahedra, corners with two equivalent S(1)Ba2Sn3 trigonal bipyramids, corners with two equivalent S(4)Ba3Sn2 trigonal bipyramids, corners with three equivalent S(5)Ba2Sn2 trigonal pyramids,  an edgeedge with one S(3)Ba3Sn tetrahedra,  an edgeedge with one S(1)Ba2Sn3 trigonal bipyramid, and edges with three equivalent S(4)Ba3Sn2 trigonal bipyramids. In the sixth S site, S(5) is bonded to one Ba(1), one Ba(2), one Sn(1), and one Sn(3) atom to form SBa2Sn2 trigonal pyramids that share corners with two equivalent S(3)Ba3Sn tetrahedra, corners with two equivalent S(1)Ba2Sn3 trigonal bipyramids, corners with three equivalent S(4)Ba3Sn2 trigonal bipyramids, and  a cornercorner with one S(5)Ba2Sn2 trigonal pyramid. is represented by the CIF file [CIF]
data_BaSn2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.718
_cell_length_b   6.230
_cell_length_c   11.988
_cell_angle_alpha   79.206
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1006.510
_cell_formula_units_Z   6
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  0.750  0.884  0.477  1.0
  Ba  Ba1  1  0.250  0.116  0.523  1.0
  Ba  Ba2  1  0.423  0.207  0.130  1.0
  Ba  Ba3  1  0.923  0.793  0.870  1.0
  Ba  Ba4  1  0.577  0.793  0.870  1.0
  Ba  Ba5  1  0.077  0.207  0.130  1.0
  Sn  Sn6  1  0.884  0.549  0.227  1.0
  Sn  Sn7  1  0.250  0.626  0.205  1.0
  Sn  Sn8  1  0.451  0.775  0.449  1.0
  Sn  Sn9  1  0.951  0.225  0.551  1.0
  Sn  Sn10  1  0.549  0.225  0.551  1.0
  Sn  Sn11  1  0.049  0.775  0.449  1.0
  Sn  Sn12  1  0.750  0.158  0.100  1.0
  Sn  Sn13  1  0.250  0.842  0.900  1.0
  Sn  Sn14  1  0.384  0.451  0.773  1.0
  Sn  Sn15  1  0.116  0.451  0.773  1.0
  Sn  Sn16  1  0.616  0.549  0.227  1.0
  Sn  Sn17  1  0.750  0.374  0.795  1.0
  S  S18  1  0.750  0.753  0.072  1.0
  S  S19  1  0.250  0.247  0.928  1.0
  S  S20  1  0.750  0.434  0.376  1.0
  S  S21  1  0.250  0.566  0.624  1.0
  S  S22  1  0.750  0.033  0.721  1.0
  S  S23  1  0.250  0.967  0.279  1.0
  S  S24  1  0.391  0.744  0.050  1.0
  S  S25  1  0.891  0.256  0.950  1.0
  S  S26  1  0.609  0.256  0.950  1.0
  S  S27  1  0.109  0.744  0.050  1.0
  S  S28  1  0.421  0.091  0.709  1.0
  S  S29  1  0.921  0.909  0.291  1.0
  S  S30  1  0.579  0.909  0.291  1.0
  S  S31  1  0.079  0.091  0.709  1.0
  S  S32  1  0.071  0.407  0.388  1.0
  S  S33  1  0.929  0.593  0.612  1.0
  S  S34  1  0.571  0.593  0.612  1.0
  S  S35  1  0.429  0.407  0.388  1.0
[/CIF]
.