No title 1.0 4.73727000 0.00000000 0.00000000 0.00000000 4.73727000 0.00000000 0.00000000 0.00000000 18.94418857 Sn O H 6 14 2 Direct 0.41913521 0.52926559 0.33178534 # 1 Sn1 0.46894535 0.52036019 0.49748896 # 2 Sn2 0.97024631 0.00666321 0.42575415 # 3 Sn3 0.08340539 0.08739256 0.98556160 # 4 Sn4 0.57783191 0.58093973 0.91409371 # 5 Sn5 0.54802092 0.55420445 0.07992833 # 6 Sn6 0.64922549 0.72718800 0.41439534 # 7 O1 0.15087909 0.84745976 0.33299960 # 8 O2 0.17298190 0.80608072 0.51510915 # 9 O3 0.75355163 0.22283742 0.51166391 # 10 O4 0.75984180 0.25094930 0.33559450 # 11 O5 0.24987822 0.32878702 0.41817213 # 12 O6 0.76385312 0.36920783 0.99548294 # 13 O7 0.28662244 0.29073167 0.89617970 # 14 O8 0.25388623 0.25705396 0.07778665 # 15 O9 0.36606635 0.76822382 0.99519553 # 16 O10 0.86250931 0.86438787 0.07772983 # 17 O11 0.86856978 0.87262453 0.89980343 # 18 O12 0.57090084 0.57973852 0.18652426 # 19 O13 0.40537334 0.41107440 0.22690188 # 20 O14 0.77712463 0.16235156 0.28846475 # 21 H1 0.00498447 0.98229541 0.12601956 # 22 H2