PERIODIC_GRAPH ID sqc37 EDGES 1 1 -2 -1 -1 1 1 -1 -1 -2 1 1 -1 -1 -1 1 1 -1 -1 0 1 1 -1 0 0 1 1 0 -1 -1 1 1 0 0 -1 END CRYSTAL ID sqc37_maximal GROUP P4/mmm CELL 0.89352 0.89352 0.6921 90.0 90.0 90.0 ATOM 1 14 0.0 0.0 0.0 EDGE 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 1.0 1.0 END CRYSTAL ID sqc37_relaxed GROUP P4/mmm CELL 0.8895 0.8895 0.69809 90.0 90.0 90.0 ATOM 1 14 0.0 0.0 0.0 EDGE 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 1.0 1.0 END