P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.282550 8.800455 15.217965 90.000000 90.000000 90.000000 ATOM -1: X=0.01293000 Y=0.25000000 Z=0.69532000 MULT= 4 ISPLIT=15 -1: X=0.98707000 Y=0.75000000 Z=0.30468000 -1: X=0.51293000 Y=0.25000000 Z=0.80468000 -1: X=0.48707000 Y=0.75000000 Z=0.19532000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.29273000 Y=0.25000000 Z=0.40883000 MULT= 4 ISPLIT=15 -2: X=0.70727000 Y=0.75000000 Z=0.59117000 -2: X=0.79273000 Y=0.25000000 Z=0.09117000 -2: X=0.20727000 Y=0.75000000 Z=0.90883000 Pt NPT= 781 R0=.000005000 RMT= 2.00000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.17590000 Y=0.25000000 Z=0.08304000 MULT= 4 ISPLIT=15 -3: X=0.82410000 Y=0.75000000 Z=0.91696000 -3: X=0.67590000 Y=0.25000000 Z=0.41696000 -3: X=0.32410000 Y=0.75000000 Z=0.58304000 Sn NPT= 781 R0=.000010000 RMT= 2.00000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000