PERIODIC_GRAPH ID sqc12350 EDGES 1 2 0 0 0 1 2 1 0 0 1 3 0 0 0 1 4 0 0 0 2 5 0 0 0 2 6 0 0 0 3 7 0 0 0 3 8 0 0 0 3 9 0 0 0 4 10 0 0 0 4 11 0 0 0 4 12 0 0 0 5 7 0 0 0 5 8 -1 0 0 5 13 0 0 0 6 10 0 0 0 6 11 -1 0 0 6 14 0 0 0 7 13 0 0 0 7 15 0 0 0 7 16 0 0 0 7 17 0 0 0 7 18 0 0 0 7 19 0 0 0 8 13 1 0 0 8 15 1 0 0 8 16 0 0 0 8 17 1 0 0 8 18 1 0 0 8 19 1 0 0 9 20 0 0 0 9 20 1 0 0 9 21 0 0 0 10 14 0 0 0 10 21 0 1 0 10 22 0 0 0 10 23 0 0 0 10 24 0 0 0 10 25 0 0 0 11 14 1 0 0 11 21 0 1 0 11 22 1 0 0 11 23 1 0 0 11 24 1 0 0 11 25 1 0 0 12 16 0 0 1 12 26 0 0 0 12 26 1 0 0 13 15 0 0 0 14 22 0 0 0 15 26 0 0 -1 16 27 0 0 0 17 18 0 0 0 17 28 0 0 0 18 19 0 0 0 19 20 0 0 0 20 22 0 -1 0 21 27 0 0 1 23 24 0 0 0 23 28 0 1 1 24 25 0 0 0 25 26 0 0 0 27 28 0 0 0 27 28 1 0 0 END CRYSTAL ID sqc12350_maximal GROUP P4/mmm CELL 6.02611 6.02611 2.72647 90.0 90.0 90.0 ATOM 1 4 0.0 0.46813 0.0 2 4 0.06923 0.43626 0.0 3 8 0.0 0.5 0.125 4 4 0.15055 0.5 0.5 5 4 0.3011 0.3011 0.5 6 4 0.27692 0.27692 0.0 EDGE 0.27692 0.27692 0.0 0.3011 0.3011 0.5 0.27692 0.27692 0.0 0.06923 0.43626 0.0 0.0 0.46813 0.0 0.0 0.5 0.125 0.06923 0.43626 0.0 0.0 0.5 0.125 0.0 0.5 0.125 0.15055 0.5 0.5 0.3011 0.3011 0.5 0.15055 0.5 0.5 0.0 0.46813 0.0 0.06923 0.43626 0.0 END CRYSTAL ID sqc12350_relaxed GROUP P4/mmm CELL 2.8796 2.8796 1.21241 90.0 90.0 90.0 ATOM 1 4 0.0 0.30949 0.0 2 4 0.15411 0.37461 0.0 3 8 0.0 0.5 0.30181 4 4 0.34408 0.5 0.5 5 4 0.20418 0.20418 0.5 6 4 0.03205 0.03205 0.0 EDGE 0.03205 0.03205 0.0 0.20418 0.20418 0.5 0.03205 0.03205 0.0 0.15411 0.37461 0.0 0.0 0.30949 0.0 0.0 0.5 0.69819 0.15411 0.37461 0.0 0.0 0.5 0.69819 0.0 0.5 0.30181 0.34408 0.5 0.5 0.20418 0.20418 0.5 0.34408 0.5 0.5 0.0 0.30949 0.0 0.15411 0.62539 0.0 END