PERIODIC_GRAPH ID sqc7390 EDGES 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 2 6 0 0 0 2 7 0 0 0 3 8 0 0 0 3 9 0 0 0 4 10 0 0 0 4 11 0 0 0 5 12 0 0 0 5 13 0 0 0 6 9 1 0 0 6 14 0 0 0 7 8 1 0 0 7 15 0 0 0 7 16 0 0 0 8 14 0 0 0 9 17 0 0 0 9 18 0 0 0 10 12 0 1 0 10 14 0 0 1 11 13 0 1 0 11 15 -1 1 1 11 18 0 0 0 12 16 0 0 0 12 17 1 -1 1 13 14 0 0 1 15 17 1 -1 0 16 18 1 -1 0 END CRYSTAL ID sqc7390_maximal GROUP P4232 CELL 3.44464 3.44464 3.44464 90.0 90.0 90.0 ATOM 1 3 0.0625 0.5625 0.25 2 4 0.0 0.25 0.5 EDGE 0.0 0.25 0.5 0.25 0.0625 0.5625 0.0625 0.5625 0.25 -0.0625 0.4375 0.25 END CRYSTAL ID sqc7390_relaxed GROUP P4232 CELL 3.25664 3.25664 3.25664 90.0 90.0 90.0 ATOM 1 3 0.10856 0.60856 0.25 2 4 0.0 0.25 0.5 EDGE 0.0 0.25 0.5 0.25 0.10856 0.60856 0.10856 0.60856 0.25 -0.10856 0.39144 0.25 END