52 SnS & Pnma-D_{2h}^{16} #62 & B29 & oP8 & Strukturbericht III, pp. 14-15 Sn 1.31924000 0.99500000 0.49795000 Sn 4.27076000 2.98500000 2.66295000 Sn 6.90924000 0.99500000 1.66705000 S 1.67700000 2.98500000 2.26026000 Sn 1.31924000 0.99500000 4.82795000 Sn 4.27076000 2.98500000 6.99295000 Sn 6.90924000 0.99500000 5.99705000 S 7.26700000 2.98500000 4.23474000 S 1.67700000 2.98500000 6.59026000 S 3.91300000 0.99500000 4.42526000 Sn 1.31924000 0.99500000 9.15795000 S 7.26700000 2.98500000 8.56474000 S 3.91300000 0.99500000 8.75526000 Sn 1.31924000 4.97500000 0.49795000 Sn 4.27076000 6.96500000 2.66295000 Sn 6.90924000 4.97500000 1.66705000 S 1.67700000 6.96500000 2.26026000 Sn 1.31924000 4.97500000 4.82795000 Sn 4.27076000 6.96500000 6.99295000 Sn 6.90924000 4.97500000 5.99705000 S 7.26700000 6.96500000 4.23474000 S 1.67700000 6.96500000 6.59026000 S 3.91300000 4.97500000 4.42526000 Sn 1.31924000 4.97500000 9.15795000 S 7.26700000 6.96500000 8.56474000 S 3.91300000 4.97500000 8.75526000 Sn 1.31924000 8.95500000 0.49795000 Sn 6.90924000 8.95500000 1.66705000 Sn 1.31924000 8.95500000 4.82795000 Sn 6.90924000 8.95500000 5.99705000 S 3.91300000 8.95500000 4.42526000 Sn 1.31924000 8.95500000 9.15795000 S 3.91300000 8.95500000 8.75526000 Sn 12.49924000 0.99500000 0.49795000 S 9.50300000 0.99500000 2.06974000 Sn 12.49924000 0.99500000 4.82795000 Sn 9.86076000 2.98500000 3.83205000 S 9.50300000 0.99500000 6.39974000 Sn 12.49924000 0.99500000 9.15795000 Sn 9.86076000 2.98500000 8.16205000 Sn 12.49924000 4.97500000 0.49795000 S 9.50300000 4.97500000 2.06974000 Sn 12.49924000 4.97500000 4.82795000 Sn 9.86076000 6.96500000 3.83205000 S 9.50300000 4.97500000 6.39974000 Sn 12.49924000 4.97500000 9.15795000 Sn 9.86076000 6.96500000 8.16205000 Sn 12.49924000 8.95500000 0.49795000 S 9.50300000 8.95500000 2.06974000 Sn 12.49924000 8.95500000 4.82795000 S 9.50300000 8.95500000 6.39974000 Sn 12.49924000 8.95500000 9.15795000 **************************************** Primitive vectors a(1) = 11.18000000 0.00000000 0.00000000 a(2) = 0.00000000 3.98000000 0.00000000 a(3) = 0.00000000 0.00000000 4.33000000 Volume = 192.66941200 Reciprocal vectors b(1) = 0.08944544 0.00000000 0.00000000 b(2) = 0.00000000 0.25125628 0.00000000 b(3) = 0.00000000 0.00000000 0.23094688 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Sn 0.11800000 0.25000000 0.11500000 1.31924000 0.99500000 0.49795000 Sn 0.38200000 0.75000000 0.61500000 4.27076000 2.98500000 2.66295000 Sn -0.11800000 0.75000000 -0.11500000 -1.31924000 2.98500000 -0.49795000 Sn 0.61800000 0.25000000 0.38500000 6.90924000 0.99500000 1.66705000 S -0.15000000 0.25000000 0.47800000 -1.67700000 0.99500000 2.06974000 S 0.65000000 0.75000000 -0.02200000 7.26700000 2.98500000 -0.09526000 S 0.15000000 0.75000000 0.52200000 1.67700000 2.98500000 2.26026000 S 0.35000000 0.25000000 0.02200000 3.91300000 0.99500000 0.09526000