PERIODIC_GRAPH ID sqc907 EDGES 1 2 0 0 0 1 2 0 1 0 1 3 0 0 0 1 3 1 0 0 2 4 0 0 0 2 5 0 0 0 3 4 -1 1 -1 3 5 0 0 1 4 6 0 0 0 4 6 0 1 0 5 6 -1 1 -1 5 6 0 1 -1 END CRYSTAL ID sqc907_maximal GROUP I4/mmm CELL 2.0 2.0 4.0 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.125 2 4 0.0 0.5 0.125 EDGE 0.0 0.5 0.125 0.0 0.5 -0.125 0.0 0.5 0.125 0.0 0.5 0.375 0.0 0.0 0.125 0.0 0.5 0.125 END CRYSTAL ID sqc907_relaxed GROUP I4/mmm CELL 2.0 2.0 4.0 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.125 2 4 0.0 0.5 0.125 EDGE 0.0 0.5 0.125 0.0 0.5 -0.125 0.0 0.5 0.125 0.0 0.5 0.375 0.0 0.0 0.125 0.0 0.5 0.125 END