PERIODIC_GRAPH ID sqc5371 EDGES 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 4 1 0 0 1 5 0 0 0 1 6 0 0 0 2 6 0 1 0 2 7 0 0 0 3 5 0 0 1 3 7 0 -1 1 4 8 0 0 0 4 9 0 0 0 4 10 0 0 0 4 11 0 0 0 5 7 -1 0 -1 6 7 -1 -1 0 7 12 0 0 -1 7 12 0 0 0 8 11 -1 1 -1 8 12 -2 0 -1 9 10 0 0 1 9 12 -1 0 0 10 12 -1 -1 -1 11 12 0 -1 0 END CRYSTAL ID sqc5371_maximal GROUP Fddd CELL 4.66091 3.60757 2.55093 90.0 90.0 90.0 ATOM 1 3 0.1875 0.3125 0.0 2 6 0.0 0.0 0.5 EDGE 0.0 0.0 0.5 0.0 0.25 0.75 0.0 0.0 0.5 0.1875 -0.0625 0.25 0.1875 0.3125 0.0 0.3125 0.1875 0.0 0.0 0.0 0.5 0.0625 -0.1875 0.75 END CRYSTAL ID sqc5371_relaxed GROUP Fddd CELL 5.0577 3.17807 2.43006 90.0 90.0 90.0 ATOM 1 3 0.33944 0.18578 0.02504 2 6 0.0 0.0 0.5 EDGE 0.0 0.0 0.5 0.0 0.25 0.75 0.0 0.0 0.5 0.16056 -0.06422 0.27504 0.33944 0.18578 0.02504 0.16056 0.31422 -0.02504 0.0 0.0 0.5 0.08944 -0.18578 0.77504 END