P LATTICE,NONEQUIV.ATOMS 2 92 P41212 MODE OF CALC=RELA unit=bohr 8.191963 8.191963 11.531109 90.000000 90.000000 90.000000 ATOM -1: X=0.04000000 Y=0.04000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.46000000 Y=0.54000000 Z=0.25000000 -1: X=0.54000000 Y=0.46000000 Z=0.75000000 -1: X=0.96000000 Y=0.96000000 Z=0.50000000 C NPT= 781 R0=.000100000 RMT= 1.32 Z: 6.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.23800000 Y=0.28200000 Z=0.26000000 MULT= 8 ISPLIT= 8 -2: X=0.21800000 Y=0.73800000 Z=0.51000000 -2: X=0.73800000 Y=0.21800000 Z=0.49000000 -2: X=0.76200000 Y=0.71800000 Z=0.76000000 -2: X=0.28200000 Y=0.23800000 Z=0.74000000 -2: X=0.78200000 Y=0.26200000 Z=0.01000000 -2: X=0.26200000 Y=0.78200000 Z=0.99000000 -2: X=0.71800000 Y=0.76200000 Z=0.24000000 O NPT= 781 R0=.000100000 RMT= 1.46 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000