PERIODIC_GRAPH ID sqc392 EDGES 1 1 -1 0 0 1 2 0 0 0 1 2 0 0 1 1 2 0 1 0 1 2 0 1 1 1 3 0 0 0 1 3 0 1 0 2 2 0 -1 0 2 3 0 0 -1 2 3 0 0 0 END CRYSTAL ID sqc392_maximal GROUP Pmmm CELL 1.58678 1.94218 1.22866 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.0 2 8 0.0 0.0 0.5 3 8 0.5 0.0 0.0 EDGE 0.0 0.0 0.5 0.5 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.5 0.0 0.0 0.5 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.5 0.0 1.0 0.5 END CRYSTAL ID sqc392_relaxed GROUP Pmmm CELL 1.92314 1.08228 1.21989 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.0 2 8 0.0 0.0 0.5 3 8 0.5 0.0 0.0 EDGE 0.0 0.0 0.5 0.5 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.5 0.0 0.0 0.5 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.5 0.0 1.0 0.5 END