PERIODIC_GRAPH ID sqc8932 EDGES 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 5 1 0 0 1 6 0 0 0 1 7 0 0 0 1 8 0 0 0 2 3 0 0 0 2 5 0 1 0 2 9 0 0 0 2 10 0 0 0 2 11 0 0 0 3 4 0 0 0 3 11 0 0 0 4 5 0 0 1 4 9 0 -1 1 4 10 0 -1 1 4 11 0 0 0 5 6 -1 0 1 5 8 -1 1 0 5 9 0 -1 0 5 12 0 0 0 6 7 0 0 0 6 10 0 0 -1 6 11 1 0 -1 6 12 1 0 -1 7 8 0 0 0 7 11 1 0 -1 8 10 0 -1 0 8 11 1 0 -1 8 12 1 -1 0 9 10 0 0 0 10 11 0 1 0 10 11 1 0 -1 10 12 1 0 0 END CRYSTAL ID sqc8932_maximal GROUP Fddd CELL 2.65952 4.85434 4.60641 90.0 90.0 90.0 ATOM 1 8 0.0 0.0 0.5 2 6 0.125 0.125 0.375 3 4 0.125 0.4375 0.125 EDGE 0.0 0.0 0.5 0.375 -0.125 0.625 0.0 0.0 0.5 0.125 0.125 0.375 0.0 0.0 0.5 0.125 -0.0625 0.625 0.125 0.125 0.375 0.375 0.1875 0.375 0.0 0.0 0.5 0.0 0.25 0.75 END CRYSTAL ID sqc8932_relaxed GROUP Fddd CELL 2.5504 2.30453 3.2567 90.0 90.0 90.0 ATOM 1 8 0.0 0.0 0.5 2 6 0.125 0.125 0.02823 3 4 0.125 0.12337 0.125 EDGE 0.0 0.0 0.5 0.375 -0.125 0.47177 0.0 0.0 0.5 0.125 0.125 0.22177 0.0 0.0 0.5 0.125 -0.37337 0.625 0.125 0.125 0.02823 0.375 0.37337 -0.125 0.0 0.0 0.5 0.0 0.25 0.75 END