PERIODIC_GRAPH ID sqc5142 EDGES 1 2 0 0 0 1 2 1 0 0 1 3 0 0 0 1 4 0 0 0 1 4 0 1 0 1 5 0 0 0 1 6 0 0 0 1 7 0 0 0 2 3 0 1 0 2 5 1 1 1 2 6 -1 -1 0 2 7 0 0 1 2 8 0 0 0 2 8 0 1 0 3 4 0 0 0 3 8 0 0 0 4 5 0 0 0 4 6 0 -1 0 4 7 0 -1 0 4 8 -1 -1 -1 4 8 0 0 -1 5 8 -1 0 -1 6 8 1 1 0 7 8 0 0 -1 END CRYSTAL ID sqc5142_maximal GROUP Fddd CELL 4.43181 4.04345 1.80853 90.0 90.0 90.0 ATOM 1 8 0.33333 0.125 0.125 2 4 0.0 0.25 0.75 EDGE 0.0 0.25 0.75 0.16667 0.375 0.875 0.33333 0.125 0.125 0.16667 0.375 -0.125 0.0 0.25 0.75 0.08333 0.375 0.375 0.33333 0.125 0.125 0.41667 0.125 -0.375 END CRYSTAL ID sqc5142_relaxed GROUP Fddd CELL 5.62523 1.24737 2.02089 90.0 90.0 90.0 ATOM 1 8 0.33209 0.125 0.125 2 4 0.0 0.5 0.0 EDGE 0.0 0.5 0.0 0.16791 0.375 -0.125 0.33209 0.125 0.125 0.16791 0.375 -0.125 0.0 0.5 0.0 0.08209 0.375 0.375 0.33209 0.125 0.125 0.41791 0.125 -0.375 END