No title 1.0 4.73727000 0.00000000 0.00000000 0.00000000 4.73727000 0.00000000 0.00000000 0.00000000 18.37276000 Sn O H 6 14 2 Direct 0.25377247 0.52825134 0.44400878 # 1 Sn1 0.27245421 0.54551551 0.61725614 # 2 Sn2 0.76828141 0.04128675 0.54308918 # 3 Sn3 0.20553992 0.99701087 0.06068970 # 4 Sn4 0.69784046 0.50464229 0.98651208 # 5 Sn5 0.73235333 0.46983721 0.16016530 # 6 Sn6 0.46528559 0.74276100 0.53240042 # 7 O1 0.98359703 0.85364790 0.45596342 # 8 O2 0.97541250 0.82889859 0.63514585 # 9 O3 0.55791627 0.25059336 0.63522735 # 10 O4 0.58751303 0.26551188 0.45607595 # 11 O5 0.07155089 0.34024621 0.53575719 # 12 O6 0.90160266 0.29532037 0.06650552 # 13 O7 0.41620928 0.20553328 0.96873394 # 14 O8 0.37684268 0.23433629 0.14691079 # 15 O9 0.50827155 0.69710755 0.07301553 # 16 O10 0.97527297 0.81966977 0.14740068 # 17 O11 0.99848429 0.78411872 0.96860146 # 18 O12 0.73375548 0.41523619 0.26618829 # 19 O13 0.22949835 0.51460504 0.33684670 # 20 O14 0.41248890 0.45208220 0.31476982 # 21 H1 0.91948693 0.46216381 0.28971180 # 22 H2