P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.440531 8.895697 15.111006 90.000000 90.000000 90.000000 ATOM -1: X=0.01830000 Y=0.25000000 Z=0.68232000 MULT= 4 ISPLIT= 8 -1: X=0.98170000 Y=0.75000000 Z=0.31768000 -1: X=0.51830000 Y=0.25000000 Z=0.81768000 -1: X=0.48170000 Y=0.75000000 Z=0.18232000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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=0.29831000 Y=0.25000000 Z=0.39391000 MULT= 4 ISPLIT= 8 -2: X=0.70169000 Y=0.75000000 Z=0.60609000 -2: X=0.79831000 Y=0.25000000 Z=0.10609000 -2: X=0.20169000 Y=0.75000000 Z=0.89391000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.16234000 Y=0.25000000 Z=0.07482000 MULT= 4 ISPLIT= 8 -3: X=0.83766000 Y=0.75000000 Z=0.92518000 -3: X=0.66234000 Y=0.25000000 Z=0.42518000 -3: X=0.33766000 Y=0.75000000 Z=0.57482000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000