PERIODIC_GRAPH ID sqc26 EDGES 1 1 -1 0 0 1 2 0 0 0 1 2 0 0 1 1 2 0 1 0 1 2 2 1 1 2 2 -1 0 0 END CRYSTAL ID sqc26_maximal GROUP P42/nnm CELL 1.42526 1.42526 0.82288 90.0 90.0 90.0 ATOM 1 6 0.25 0.75 0.25 EDGE 0.25 0.75 0.25 0.25 0.75 -0.75 0.25 0.75 0.25 0.75 0.25 -0.25 END CRYSTAL ID sqc26_relaxed GROUP P42/nnm CELL 1.22488 1.22488 0.99989 90.0 90.0 90.0 ATOM 1 6 0.25 0.75 0.25 EDGE 0.25 0.75 0.25 0.25 0.75 -0.75 0.25 0.75 0.25 0.75 0.25 -0.25 END