PERIODIC_GRAPH ID sqc1194 EDGES 1 1 -1 0 0 1 2 0 0 0 1 2 0 1 0 1 3 0 0 0 1 3 0 0 1 1 4 0 0 0 1 4 0 1 -1 2 3 0 -1 1 2 3 0 0 0 2 4 1 0 -1 2 4 1 0 0 3 3 -1 0 0 3 4 0 0 -1 3 4 0 1 -1 END CRYSTAL ID sqc1194_maximal GROUP Cmma CELL 1.77589 3.07678 1.25629 90.0 90.0 90.0 ATOM 1 8 0.25 0.0 0.0 2 6 0.0 0.25 0.25 EDGE 0.0 0.25 0.25 0.5 0.25 0.75 0.25 0.0 0.0 0.0 0.25 0.25 0.25 0.0 0.0 0.25 0.0 1.0 0.25 0.0 0.0 0.75 0.0 0.0 END CRYSTAL ID sqc1194_relaxed GROUP Cmma CELL 1.99614 2.94592 1.00006 90.0 90.0 90.0 ATOM 1 8 0.25 0.0 0.0 2 6 0.0 0.75 0.54332 EDGE 0.0 0.75 0.54332 0.5 0.75 0.45668 0.25 0.0 0.0 0.5 0.25 -0.45668 0.25 0.0 0.0 0.25 0.0 1.0 0.25 0.0 0.0 0.75 0.0 0.0 END