P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 11.252185 15.740096 11.078897 90.000000 90.000000 90.000000 ATOM -1: X=0.04310000 Y=0.25000000 Z=0.48990000 MULT= 4 ISPLIT= 8 -1: X=0.95690000 Y=0.75000000 Z=0.51010000 -1: X=0.54310000 Y=0.25000000 Z=0.01010000 -1: X=0.45690000 Y=0.75000000 Z=0.98990000 Sr NPT= 781 R0=.000010000 RMT= 2.35 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.50000000 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 -2: X=0.00000000 Y=0.50000000 Z=0.00000000 Pb NPT= 781 R0=.000005000 RMT= 2.23 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.46860000 Y=0.25000000 Z=0.59070000 MULT= 4 ISPLIT= 8 -3: X=0.53140000 Y=0.75000000 Z=0.40930000 -3: X=0.96860000 Y=0.25000000 Z=0.90930000 -3: X=0.03140000 Y=0.75000000 Z=0.09070000 O NPT= 781 R0=.000100000 RMT= 1.82 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.29530000 Y=0.04710000 Z=0.20220000 MULT= 8 ISPLIT= 8 -4: X=0.70470000 Y=0.95290000 Z=0.79780000 -4: X=0.79530000 Y=0.04710000 Z=0.29780000 -4: X=0.20470000 Y=0.95290000 Z=0.70220000 -4: X=0.20470000 Y=0.54710000 Z=0.70220000 -4: X=0.79530000 Y=0.45290000 Z=0.29780000 -4: X=0.70470000 Y=0.54710000 Z=0.79780000 -4: X=0.29530000 Y=0.45290000 Z=0.20220000 O NPT= 781 R0=.000100000 RMT= 1.82 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000