CXY LATTICE,NONEQUIV.ATOMS 3 63 Cmcm MODE OF CALC=RELA unit=bohr 8.365818 21.047770 14.089798 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.43061000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.56939000 Z=0.75000000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 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=0.70431000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.29569000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.14174000 Z=0.04637000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.85826000 Z=0.95363000 -3: X=0.00000000 Y=0.14174000 Z=0.45363000 -3: X=0.00000000 Y=0.85826000 Z=0.54637000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000