data_KSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.48
_cell_length_b   12.48
_cell_length_c   12.48
_cell_angle_alpha   124.99
_cell_angle_beta   124.99
_cell_angle_gamma   81.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn
_chemical_formula_sum   'K16 Sn16'
_cell_volume   1254.36
_cell_formula_units_Z   16
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  0.88  0.18  0.36  1.0
  K  K1  1  0.4  0.6  0.17  1.0
  K  K2  1  0.36  0.36  0.28  1.0
  K  K3  1  0.64  0.58  0.36  1.0
  K  K4  1  0.4  0.4  0.72  1.0
  K  K5  1  0.6  0.4  0.17  1.0
  K  K6  1  0.18  0.88  0.09  1.0
  K  K7  1  0.88  0.58  0.81  1.0
  K  K8  1  0.4  0.36  0.45  1.0
  K  K9  1  0.12  0.18  0.81  1.0
  K  K10  1  0.58  0.88  0.64  1.0
  K  K11  1  0.36  0.4  0.0  1.0
  K  K12  1  0.35  0.88  0.64  1.0
  K  K13  1  0.36  0.6  0.45  1.0
  K  K14  1  0.4  0.17  0.0  1.0
  K  K15  1  0.42  0.88  0.09  1.0
  Sn  Sn16  1  0.7  0.51  0.79  1.0
  Sn  Sn17  1  0.3  0.75  0.38  1.0
  Sn  Sn18  1  0.51  0.7  0.66  1.0
  Sn  Sn19  1  0.46  0.25  0.79  1.0
  Sn  Sn20  1  0.75  0.06  0.66  1.0
  Sn  Sn21  1  0.25  0.3  0.51  1.0
  Sn  Sn22  1  0.51  0.46  0.06  1.0
  Sn  Sn23  1  0.25  0.46  0.66  1.0
  Sn  Sn24  1  0.75  0.3  0.06  1.0
  Sn  Sn25  1  0.54  0.01  0.38  1.0
  Sn  Sn26  1  0.46  0.01  0.94  1.0
  Sn  Sn27  1  0.01  0.3  0.66  1.0
  Sn  Sn28  1  0.06  0.75  0.79  1.0
  Sn  Sn29  1  0.3  0.01  0.79  1.0
  Sn  Sn30  1  0.01  0.46  0.51  1.0
  Sn  Sn31  1  0.22  0.75  0.94  1.0

data_KSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   11.52
_cell_length_b   11.52
_cell_length_c   12.48
_cell_angle_alpha   117.51
_cell_angle_beta   117.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn
_chemical_formula_sum   'K16 Sn16'
_cell_volume   1254.36
_cell_formula_units_Z   16
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  0.09  0.04  0.69  1.0
  K  K1  1  0.19  0.48  0.3  1.0
  K  K2  1  0.2  0.67  0.79  1.0
  K  K3  1  0.2  0.91  0.03  1.0
  K  K4  1  0.22  0.93  0.34  1.0
  K  K5  1  0.32  0.32  0.92  1.0
  K  K6  1  0.57  0.77  0.17  1.0
  K  K7  1  0.6  0.64  0.24  1.0
  K  K8  1  0.63  0.69  0.51  1.0
  K  K9  1  0.76  0.05  0.17  1.0
  K  K10  1  0.76  0.29  0.41  1.0
  K  K11  1  0.77  0.57  0.17  1.0
  K  K12  1  0.78  0.72  0.13  1.0
  K  K13  1  0.83  0.6  0.43  1.0
  K  K14  1  0.85  0.09  0.49  1.0
  K  K15  1  0.92  0.92  0.56  1.0
  Sn  Sn16  1  0.04  0.72  0.97  1.0
  Sn  Sn17  1  0.05  0.5  0.04  1.0
  Sn  Sn18  1  0.19  0.72  0.97  1.0
  Sn  Sn19  1  0.2  0.41  0.95  1.0
  Sn  Sn20  1  0.21  0.26  0.96  1.0
  Sn  Sn21  1  0.28  0.09  0.58  1.0
  Sn  Sn22  1  0.36  0.65  0.34  1.0
  Sn  Sn23  1  0.37  0.84  0.83  1.0
  Sn  Sn24  1  0.54  0.33  0.08  1.0
  Sn  Sn25  1  0.6  0.91  0.85  1.0
  Sn  Sn26  1  0.61  0.55  0.09  1.0
  Sn  Sn27  1  0.63  0.08  0.33  1.0
  Sn  Sn28  1  0.76  0.31  0.01  1.0
  Sn  Sn29  1  0.77  0.48  0.47  1.0
  Sn  Sn30  1  0.92  0.48  0.47  1.0
  Sn  Sn31  1  0.96  0.15  0.45  1.0

K K K K K K K K K K K K K K K K Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn
K K K K K K K K K K K K K K K K Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn 0 27 + o o 0 30 + o o 1 22 o o o 1 11 o o o 2 8 o o o 3 5 o o o 4 21 o o o 4 23 o o o 4 19 o o o 5 22 o o o 5 24 o o o 6 31 o o - 7 16 o o o 9 27 o o o 9 29 o o o 9 14 o o + 9 11 o o + 10 17 o o o 10 18 o o o 10 13 o o o 10 12 o o o 10 20 o + o 11 22 o o o 12 17 o o o 12 29 o + o 13 18 o o o 13 17 o o o 14 29 o o - 14 26 o o - 15 31 o o - 15 25 o + o 19 22 o o + 19 24 o o + 20 25 o o o 21 23 o o o 22 24 o o o 23 30 o o o 26 29 o o o 28 31 o o o 28 30 o o o 
KSn crystallizes in the triclinic P1 space group. There are sixteen inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one Sn(12) and one Sn(15) atom. The K(1)-Sn(12) bond length is 2.46 Å. The K(1)-Sn(15) bond length is 3.04 Å. In the second K site, K(2) is bonded in a 5-coordinate geometry to one K(12), one K(4), one Sn(16), one Sn(2), and one Sn(7) atom. The K(2)-K(12) bond length is 1.95 Å. The K(2)-K(4) bond length is 2.59 Å. The K(2)-Sn(16) bond length is 3.85 Å. The K(2)-Sn(2) bond length is 3.10 Å. The K(2)-Sn(7) bond length is 2.30 Å. In the third K site, K(3) is bonded in a 3-coordinate geometry to one K(14), one K(15), and one K(9) atom. The K(3)-K(14) bond length is 2.47 Å. The K(3)-K(15) bond length is 3.22 Å. The K(3)-K(9) bond length is 1.86 Å. In the fourth K site, K(4) is bonded in a 3-coordinate geometry to one K(2), one K(6), and one Sn(7) atom. The K(4)-K(6) bond length is 1.94 Å. The K(4)-Sn(7) bond length is 2.46 Å. In the fifth K site, K(5) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(4), one Sn(6), and one Sn(8) atom. The K(5)-Sn(1) bond length is 3.57 Å. The K(5)-Sn(4) bond length is 2.34 Å. The K(5)-Sn(6) bond length is 1.83 Å. The K(5)-Sn(8) bond length is 1.80 Å. In the sixth K site, K(6) is bonded in a distorted single-bond geometry to one K(4), one Sn(7), and one Sn(9) atom. The K(6)-Sn(7) bond length is 1.61 Å. The K(6)-Sn(9) bond length is 2.70 Å. In the seventh K site, K(7) is bonded in a distorted single-bond geometry to one Sn(13) and one Sn(16) atom. The K(7)-Sn(13) bond length is 2.49 Å. The K(7)-Sn(16) bond length is 1.95 Å. In the eighth K site, K(8) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(12), and one Sn(13) atom. The K(8)-Sn(1) bond length is 2.41 Å. The K(8)-Sn(12) bond length is 3.58 Å. The K(8)-Sn(13) bond length is 3.51 Å. In the ninth K site, K(9) is bonded in a 3-coordinate geometry to one K(3), one Sn(1), and one Sn(6) atom. The K(9)-Sn(1) bond length is 3.16 Å. The K(9)-Sn(6) bond length is 2.74 Å. In the tenth K site, K(10) is bonded in a 3-coordinate geometry to one Sn(12), one Sn(14), and one Sn(5) atom. The K(10)-Sn(12) bond length is 2.76 Å. The K(10)-Sn(14) bond length is 2.87 Å. The K(10)-Sn(5) bond length is 3.97 Å. In the eleventh K site, K(11) is bonded in a 3-coordinate geometry to one Sn(2), one Sn(3), and one Sn(5) atom. The K(11)-Sn(2) bond length is 2.84 Å. The K(11)-Sn(3) bond length is 2.79 Å. The K(11)-Sn(5) bond length is 3.10 Å. In the twelfth K site, K(12) is bonded in a single-bond geometry to one K(2), one Sn(12), and one Sn(7) atom. The K(12)-Sn(12) bond length is 3.56 Å. The K(12)-Sn(7) bond length is 1.67 Å. In the thirteenth K site, K(13) is bonded in a 4-coordinate geometry to one Sn(11), one Sn(14), one Sn(2), and one Sn(3) atom. The K(13)-Sn(11) bond length is 2.49 Å. The K(13)-Sn(14) bond length is 1.95 Å. The K(13)-Sn(2) bond length is 2.33 Å. The K(13)-Sn(3) bond length is 2.87 Å. In the fourteenth K site, K(14) is bonded in a 2-coordinate geometry to one K(3), one Sn(2), and one Sn(3) atom. The K(14)-Sn(2) bond length is 2.34 Å. The K(14)-Sn(3) bond length is 1.83 Å. In the fifteenth K site, K(15) is bonded in a 2-coordinate geometry to one K(3), one Sn(11), and one Sn(14) atom. The K(15)-Sn(11) bond length is 1.80 Å. The K(15)-Sn(14) bond length is 1.83 Å. In the sixteenth K site, K(16) is bonded in a 3-coordinate geometry to one Sn(10), one Sn(11), and one Sn(16) atom. The K(16)-Sn(10) bond length is 2.46 Å. The K(16)-Sn(11) bond length is 3.36 Å. The K(16)-Sn(16) bond length is 2.13 Å. There are sixteen inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one K(5), one K(8), and one K(9) atom. In the second Sn site, Sn(2) is bonded in a distorted rectangular see-saw-like geometry to one K(11), one K(13), one K(14), and one K(2) atom. In the third Sn site, Sn(3) is bonded in a distorted single-bond geometry to one K(11), one K(13), and one K(14) atom. In the fourth Sn site, Sn(4) is bonded in a single-bond geometry to one K(5) atom. In the fifth Sn site, Sn(5) is bonded in a 3-coordinate geometry to one K(10), one K(11), and one Sn(10) atom. The Sn(5)-Sn(10) bond length is 2.59 Å. In the sixth Sn site, Sn(6) is bonded in a distorted single-bond geometry to one K(5) and one K(9) atom. In the seventh Sn site, Sn(7) is bonded in a distorted water-like geometry to one K(12), one K(2), one K(4), and one K(6) atom. In the eighth Sn site, Sn(8) is bonded in a distorted single-bond geometry to one K(5) atom. In the ninth Sn site, Sn(9) is bonded in a single-bond geometry to one K(6) atom. In the tenth Sn site, Sn(10) is bonded in a distorted single-bond geometry to one K(16) and one Sn(5) atom. In the eleventh Sn site, Sn(11) is bonded in a distorted single-bond geometry to one K(13), one K(15), one K(16), and one Sn(14) atom. The Sn(11)-Sn(14) bond length is 1.76 Å. In the twelfth Sn site, Sn(12) is bonded in a 4-coordinate geometry to one K(1), one K(10), one K(12), and one K(8) atom. In the thirteenth Sn site, Sn(13) is bonded in a 4-coordinate geometry to one K(7), one K(8), one Sn(15), and one Sn(16) atom. The Sn(13)-Sn(15) bond length is 3.04 Å. The Sn(13)-Sn(16) bond length is 1.76 Å. In the fourteenth Sn site, Sn(14) is bonded in a 4-coordinate geometry to one K(10), one K(13), one K(15), and one Sn(11) atom. In the fifteenth Sn site, Sn(15) is bonded in a 1-coordinate geometry to one K(1) and one Sn(13) atom. In the sixteenth Sn site, Sn(16) is bonded in a distorted L-shaped geometry to one K(16), one K(2), one K(7), and one Sn(13) atom.