P LATTICE,NONEQUIV.ATOMS 3 96 P43212 MODE OF CALC=RELA unit=bohr 11.666602 11.666602 15.915085 90.000000 90.000000 90.000000 ATOM -1: X=0.21747000 Y=0.21747000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.28253000 Y=0.71747000 Z=0.75000000 -1: X=0.71747000 Y=0.28253000 Z=0.25000000 -1: X=0.78253000 Y=0.78253000 Z=0.50000000 Hg NPT= 781 R0=.000005000 RMT= 1.99 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00230000 Y=0.24640000 Z=0.37684000 MULT= 8 ISPLIT= 8 -2: X=0.25360000 Y=0.50230000 Z=0.12684000 -2: X=0.50230000 Y=0.25360000 Z=0.87316000 -2: X=0.99770000 Y=0.75360000 Z=0.87684000 -2: X=0.24640000 Y=0.00230000 Z=0.62316000 -2: X=0.74640000 Y=0.49770000 Z=0.62684000 -2: X=0.49770000 Y=0.74640000 Z=0.37316000 -2: X=0.75360000 Y=0.99770000 Z=0.12316000 Ag NPT= 781 R0=.000010000 RMT= 1.90 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.25250000 Y=0.12440000 Z=0.22930000 MULT= 8 ISPLIT= 8 -3: X=0.37560000 Y=0.75250000 Z=0.97930000 -3: X=0.75250000 Y=0.37560000 Z=0.02070000 -3: X=0.74750000 Y=0.87560000 Z=0.72930000 -3: X=0.12440000 Y=0.25250000 Z=0.77070000 -3: X=0.62440000 Y=0.24750000 Z=0.47930000 -3: X=0.24750000 Y=0.62440000 Z=0.52070000 -3: X=0.87560000 Y=0.74750000 Z=0.27070000 O NPT= 781 R0=.000100000 RMT= 1.71 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000