PERIODIC_GRAPH ID sqc3092 EDGES 1 1 -2 -1 0 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 2 3 -2 -1 0 2 3 -1 0 0 2 3 0 1 0 2 5 0 0 0 3 5 0 0 0 4 4 -2 -1 0 4 6 0 0 0 4 7 0 0 0 5 5 0 -1 0 5 8 0 0 0 6 7 0 1 0 6 7 1 1 0 6 7 2 1 0 6 8 0 0 1 7 8 0 0 1 8 8 0 -1 0 END CRYSTAL ID sqc3092_maximal GROUP P4222 CELL 1.05933 1.05933 5.50584 90.0 90.0 90.0 ATOM 1 5 0.0 0.375 0.0 2 5 0.0 0.0 0.125 EDGE 0.0 0.0 0.125 0.0 0.0 0.375 0.0 0.0 0.125 1.0 -1.0 0.125 0.0 0.0 0.125 0.0 0.375 0.0 0.0 0.375 0.0 1.0 0.625 0.0 0.0 0.375 0.0 0.0 0.625 0.0 END CRYSTAL ID sqc3092_relaxed GROUP P4222 CELL 0.69188 0.69188 4.68158 90.0 90.0 90.0 ATOM 1 5 0.0 0.09965 0.0 2 5 0.0 1.0 0.14198 EDGE 0.0 1.0 0.14198 0.0 1.0 0.35802 0.0 1.0 0.14198 1.0 -0.0 0.14198 0.0 0.09965 0.0 0.0 -1.0 0.14198 0.0 0.09965 0.0 1.0 -1.09965 0.0 0.0 0.09965 0.0 0.0 -1.09965 0.0 END