PERIODIC_GRAPH ID sqc2730 EDGES 1 2 0 0 0 1 2 1 0 0 1 3 0 0 0 1 3 1 0 0 1 4 0 0 0 1 4 0 1 0 1 5 0 0 0 1 5 0 1 0 2 3 0 0 0 2 4 0 0 0 2 4 1 0 1 2 5 -1 0 0 2 5 0 0 1 3 4 0 1 0 3 4 1 1 1 3 5 -1 1 0 3 5 0 1 1 4 5 0 0 0 END CRYSTAL ID sqc2730_maximal GROUP P-4m2 CELL 1.73976 1.73976 1.58862 90.0 90.0 90.0 ATOM 1 8 0.0 0.0 0.0 2 7 0.5 0.25 0.2 EDGE 0.0 0.0 0.0 0.25 0.5 -0.2 0.5 0.25 0.2 0.25 0.5 0.8 0.5 0.25 0.2 0.5 -0.25 0.2 0.5 0.25 0.2 0.25 0.5 -0.2 END CRYSTAL ID sqc2730_relaxed GROUP P-4m2 CELL 1.47325 1.47325 1.87705 90.0 90.0 90.0 ATOM 1 8 0.0 0.0 0.0 2 7 0.5 0.33604 0.24971 EDGE 0.0 0.0 0.0 0.33604 0.5 -0.24971 0.5 0.33604 0.24971 0.33604 0.5 0.75029 0.5 0.33604 0.24971 0.5 -0.33604 0.24971 0.5 0.33604 0.24971 0.33604 0.5 -0.24971 END