PERIODIC_GRAPH ID sqc3363 EDGES 1 2 0 0 0 1 2 0 0 1 1 3 0 0 0 1 3 0 1 0 1 4 0 0 0 1 4 1 0 0 2 2 0 -1 0 2 5 0 0 0 2 5 0 1 0 2 6 0 0 0 2 6 0 1 0 3 5 0 0 1 3 6 0 0 0 3 7 0 0 0 3 8 0 0 0 4 4 0 -1 0 4 7 0 0 0 4 7 0 1 0 4 8 -1 0 0 4 8 -1 1 0 END CRYSTAL ID sqc3363_maximal GROUP P4/mmm CELL 2.94024 2.94024 1.26552 90.0 90.0 90.0 ATOM 1 3 0.0 0.33333 0.0 2 8 0.0 0.5 0.5 3 6 0.0 0.0 0.0 4 6 1.0 0.0 0.5 EDGE 0.0 0.5 0.5 -0.0 0.0 0.5 0.0 0.33333 0.0 0.0 0.5 0.5 0.0 0.0 0.0 0.0 0.33333 0.0 0.0 0.0 0.0 -0.0 0.0 0.5 0.0 0.5 0.5 0.0 0.5 -0.5 END CRYSTAL ID sqc3363_relaxed GROUP P4/mmm CELL 2.64314 2.64314 1.45503 90.0 90.0 90.0 ATOM 1 3 0.0 0.31066 0.0 2 8 0.0 0.5 0.5 3 6 0.0 0.0 0.0 4 6 1.0 0.0 0.5 EDGE 0.0 0.5 0.5 -0.0 0.0 0.5 0.0 0.31066 0.0 0.0 0.5 0.5 0.0 0.0 0.0 0.0 0.31066 0.0 0.0 0.0 0.0 -0.0 0.0 0.5 0.0 0.5 0.5 0.0 0.5 -0.5 END