data_K3Sn2S3ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37
_cell_length_b   7.23
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   118.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Sn2S3ClO3
_chemical_formula_sum   'K6 Sn4 S6 Cl2 O6'
_cell_volume   572.04
_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
  K  K0  1  0.64  0.36  0.82  1.0
  K  K1  1  0.1  0.97  0.62  1.0
  K  K2  1  0.03  0.98  0.07  1.0
  K  K3  1  0.68  0.97  0.17  1.0
  K  K4  1  0.7  0.59  0.37  1.0
  K  K5  1  0.05  0.59  0.27  1.0
  Sn  Sn6  1  0.54  0.94  0.77  1.0
  Sn  Sn7  1  0.2  0.33  0.67  1.0
  Sn  Sn8  1  0.86  0.92  0.43  1.0
  Sn  Sn9  1  0.87  0.53  0.01  1.0
  S  S10  1  0.48  0.58  0.81  1.0
  S  S11  1  0.67  0.68  0.96  1.0
  S  S12  1  0.83  0.44  0.36  1.0
  S  S13  1  0.26  0.19  0.64  1.0
  S  S14  1  0.06  0.29  0.49  1.0
  S  S15  1  0.9  0.05  0.08  1.0
  Cl  Cl16  1  0.32  0.91  0.05  1.0
  Cl  Cl17  1  0.42  0.29  0.4  1.0
  O  O18  1  0.84  0.98  0.31  1.0
  O  O19  1  0.53  0.04  0.72  1.0
  O  O20  1  0.66  0.76  0.41  1.0
  O  O21  1  0.89  0.59  0.14  1.0
  O  O22  1  0.21  0.66  0.73  1.0
  O  O23  1  0.07  0.38  0.04  1.0

data_K3Sn2S3ClO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.23
_cell_length_b   9.37
_cell_length_c   9.63
_cell_angle_alpha   118.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Sn2S3ClO3
_chemical_formula_sum   'K6 Sn4 S6 Cl2 O6'
_cell_volume   572.04
_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
  K  K0  1  0.02  0.97  0.93  1.0
  K  K1  1  0.03  0.32  0.83  1.0
  K  K2  1  0.03  0.9  0.38  1.0
  K  K3  1  0.41  0.3  0.63  1.0
  K  K4  1  0.41  0.95  0.73  1.0
  K  K5  1  0.64  0.36  0.18  1.0
  Sn  Sn6  1  0.06  0.46  0.23  1.0
  Sn  Sn7  1  0.08  0.14  0.57  1.0
  Sn  Sn8  1  0.47  0.13  0.99  1.0
  Sn  Sn9  1  0.67  0.8  0.33  1.0
  S  S10  1  0.32  0.33  0.04  1.0
  S  S11  1  0.42  0.52  0.19  1.0
  S  S12  1  0.56  0.17  0.64  1.0
  S  S13  1  0.71  0.94  0.51  1.0
  S  S14  1  0.81  0.74  0.36  1.0
  S  S15  1  0.95  0.1  0.92  1.0
  Cl  Cl16  1  0.09  0.68  0.95  1.0
  Cl  Cl17  1  0.71  0.58  0.6  1.0
  O  O18  1  0.02  0.16  0.69  1.0
  O  O19  1  0.24  0.34  0.59  1.0
  O  O20  1  0.34  0.79  0.27  1.0
  O  O21  1  0.41  0.11  0.86  1.0
  O  O22  1  0.62  0.93  0.96  1.0
  O  O23  1  0.96  0.47  0.28  1.0

K K K K K K Sn Sn Sn Sn S S S S S S Cl Cl O O O O O O
K K K K K K Sn Sn Sn Sn S S S S S S Cl Cl O O O O O O 0 19 o o o 0 10 o o o 0 9 o o + 0 11 o o o 0 17 o o o 1 8 - o o 1 14 o + o 1 22 o o o 1 13 o + o 1 16 o o + 2 15 - + o 2 16 o o o 2 17 o + o 3 18 o o o 3 16 o o o 4 20 o o o 4 12 o o o 4 17 o o o 5 21 - o o 5 17 o o o 6 19 o + o 6 17 o + o 7 13 o o o 7 14 o o o 7 17 o o o 7 22 o o o 8 18 o o o 9 21 o o o 9 11 o o - 9 23 + o o 10 11 o o o 10 17 o o o 10 22 o o o 11 21 o o + 12 17 o o o 13 14 o o o 13 17 o o o 14 17 o o o 16 22 o o - 16 20 o o o 16 17 o + o 17 23 o o o 17 19 o o o 17 20 o o o 
K3Sn2S3O3Cl crystallizes in the triclinic P1 space group. There are six inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one Sn(4), one S(1), one S(2), one O(2), and one Cl(2) atom. The K(1)-Sn(4) bond length is 2.47 Å. The K(1)-S(1) bond length is 2.13 Å. The K(1)-S(2) bond length is 2.62 Å. The K(1)-O(2) bond length is 2.49 Å. The K(1)-Cl(2) bond length is 3.61 Å. In the second K site, K(2) is bonded in a 3-coordinate geometry to one Sn(3), one S(4), one O(5), and one Cl(1) atom. The K(2)-Sn(3) bond length is 2.13 Å. The K(2)-S(4) bond length is 2.13 Å. The K(2)-O(5) bond length is 2.49 Å. The K(2)-Cl(1) bond length is 3.61 Å. In the third K site, K(3) is bonded in a distorted single-bond geometry to one S(6), one O(6), and one Cl(1) atom. The K(3)-S(6) bond length is 1.37 Å. The K(3)-O(6) bond length is 2.94 Å. The K(3)-Cl(1) bond length is 2.84 Å. In the fourth K site, K(4) is bonded in a single-bond geometry to one S(2), one O(1), and one Cl(1) atom. The K(4)-S(2) bond length is 2.94 Å. The K(4)-O(1) bond length is 1.48 Å. The K(4)-Cl(1) bond length is 3.03 Å. In the fifth K site, K(5) is bonded in a distorted bent 150 degrees geometry to one S(3), one O(3), and one Cl(2) atom. The K(5)-S(3) bond length is 1.71 Å. The K(5)-O(3) bond length is 1.37 Å. The K(5)-Cl(2) bond length is 3.54 Å. In the sixth K site, K(6) is bonded in a single-bond geometry to one O(4), one O(6), and one Cl(2) atom. The K(6)-O(4) bond length is 1.48 Å. The K(6)-O(6) bond length is 2.80 Å. The K(6)-Cl(2) bond length is 3.68 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one S(1), one S(2), and one O(2) atom. The Sn(1)-S(1) bond length is 2.75 Å. The Sn(1)-S(2) bond length is 2.50 Å. The Sn(1)-O(2) bond length is 0.91 Å. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one S(1), one S(4), one S(5), and one O(5) atom. The Sn(2)-S(1) bond length is 2.93 Å. The Sn(2)-S(4) bond length is 1.25 Å. The Sn(2)-S(5) bond length is 1.65 Å. The Sn(2)-O(5) bond length is 2.46 Å. In the third Sn site, Sn(3) is bonded in a distorted single-bond geometry to one K(2) and one O(1) atom. The Sn(3)-O(1) bond length is 1.20 Å. In the fourth Sn site, Sn(4) is bonded in a distorted single-bond geometry to one K(1), one S(2), one O(4), and one O(6) atom. The Sn(4)-S(2) bond length is 1.99 Å. The Sn(4)-O(4) bond length is 1.20 Å. The Sn(4)-O(6) bond length is 2.06 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one K(1), one Sn(1), one Sn(2), one S(2), and one O(5) atom. The S(1)-S(2) bond length is 1.88 Å. The S(1)-O(5) bond length is 2.34 Å. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), one K(4), one Sn(1), one Sn(4), one S(1), and one O(4) atom. The S(2)-O(4) bond length is 2.01 Å. In the third S site, S(3) is bonded in a single-bond geometry to one K(5) atom. In the fourth S site, S(4) is bonded in a distorted water-like geometry to one K(2) and one Sn(2) atom. In the fifth S site, S(5) is bonded in a 1-coordinate geometry to one Sn(2) atom. In the sixth S site, S(6) is bonded in a single-bond geometry to one K(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one K(4) and one Sn(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1) and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(6), one Sn(4), and one S(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(2), one Sn(2), and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(3), one K(6), and one Sn(4) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 150 degrees geometry to one K(2), one K(3), and one K(4) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(5), and one K(6) atom.