CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 8.401722 34.185146 8.545342 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.40100000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.59900000 Z=0.75000000 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=0.00000000 Y=0.18400000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.81600000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.00000 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.04100000 Z=0.25000000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.95900000 Z=0.75000000 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 ATOM -4: X=0.00000000 Y=0.74600000 Z=0.25000000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.25400000 Z=0.75000000 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