PERIODIC_GRAPH ID sqc5533 EDGES 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 2 3 1 0 0 2 6 0 0 0 2 7 0 0 0 3 8 0 0 0 3 9 0 0 0 4 6 0 1 0 4 9 0 0 1 4 10 0 0 0 5 7 0 0 0 5 8 0 -1 0 5 10 -1 -1 0 6 9 1 0 0 6 11 0 0 0 7 8 0 -1 1 7 11 0 0 0 8 12 0 0 0 9 12 -1 -1 0 10 11 0 1 0 10 12 0 -1 1 11 12 0 -1 1 END CRYSTAL ID sqc5533_maximal GROUP I-4 CELL 3.7495 3.7495 3.05285 90.0 90.0 90.0 ATOM 1 4 0.0 0.4 0.28571 2 4 0.3 0.1 0.02381 3 4 0.3 0.3 0.30952 EDGE 0.3 0.1 0.02381 0.2 -0.2 0.19048 0.3 0.1 0.02381 0.3 0.3 0.30952 0.0 0.4 0.28571 -0.2 0.2 0.19048 0.0 0.4 0.28571 0.1 0.5 0.21429 0.0 0.4 0.28571 0.2 0.4 0.52381 0.3 0.1 0.02381 0.2 0.2 -0.19048 END CRYSTAL ID sqc5533_relaxed GROUP I-4 CELL 3.45729 3.45729 2.93619 90.0 90.0 90.0 ATOM 1 4 0.17914 0.48859 0.16839 2 4 0.30907 0.09665 0.05476 3 4 0.35089 0.28735 0.30605 EDGE 0.30907 0.09665 0.05476 0.21265 -0.14911 0.19395 0.30907 0.09665 0.05476 0.35089 0.28735 0.30605 0.17914 0.48859 0.16839 0.35089 0.28735 0.30605 0.17914 0.48859 0.16839 0.01141 0.67914 0.33161 0.30907 0.09665 0.05476 0.51141 0.17914 -0.16839 0.30907 0.09665 0.05476 0.14911 0.21265 -0.19395 END