CXY LATTICE,NONEQUIV.ATOMS 3 63 Cmcm MODE OF CALC=RELA unit=bohr 8.496209 20.802105 15.397489 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.14675000 Z=0.05158000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.85325000 Z=0.94842000 -1: X=0.00000000 Y=0.14675000 Z=0.44842000 -1: X=0.00000000 Y=0.85325000 Z=0.55158000 Tl NPT= 781 R0=.000005000 RMT= 2.50000 Z: 81.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.71831000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.28169000 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=0.43484000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.56516000 Z=0.75000000 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