PERIODIC_GRAPH ID sqc5335 EDGES 1 2 0 0 0 1 3 0 0 0 1 3 1 0 0 1 4 0 0 0 1 5 0 0 0 2 4 0 1 0 2 6 0 0 0 2 6 0 0 1 2 7 0 0 0 3 6 -1 0 0 3 8 0 0 0 3 9 0 0 0 4 5 0 0 -1 4 7 -1 0 -1 5 7 0 0 0 5 8 0 0 0 5 8 1 -1 1 6 9 0 1 -1 6 10 0 0 0 7 10 0 -1 1 7 10 0 0 1 8 9 0 1 0 8 10 -1 0 0 9 10 -1 -1 1 END CRYSTAL ID sqc5335_maximal GROUP I-42d CELL 2.63252 2.63252 3.02679 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.5 2 5 0.02381 0.30952 0.3 EDGE 0.0 0.0 0.5 0.02381 0.30952 0.3 0.02381 0.30952 0.3 0.30952 0.52381 0.55 0.02381 0.30952 0.3 0.19048 0.52381 0.2 END CRYSTAL ID sqc5335_relaxed GROUP I-42d CELL 2.31786 2.31786 2.29609 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.5 2 5 0.14799 0.39845 0.42601 EDGE 0.0 0.0 0.5 0.14799 0.39845 0.42601 0.14799 0.39845 0.42601 0.39845 0.64799 0.67601 0.14799 0.39845 0.42601 0.10155 0.64799 0.07399 END