CXY LATTICE,NONEQUIV.ATOMS 9 63 Cmcm MODE OF CALC=RELA unit=bohr 7.439852 51.396771 10.756321 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.28840000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.71160000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.32 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=0.00000000 Y=0.55320000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.44680000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.32 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 -3: X=0.00000000 Y=0.16010000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.83990000 Z=0.75000000 Ta NPT= 781 R0=.000005000 RMT= 1.89 Z: 73.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.94470000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.05530000 Z=0.75000000 Ta NPT= 781 R0=.000005000 RMT= 1.89 Z: 73.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.20700000 Z=0.01000000 MULT= 4 ISPLIT= 8 -5: X=0.00000000 Y=0.79300000 Z=0.99000000 -5: X=0.00000000 Y=0.20700000 Z=0.49000000 -5: X=0.00000000 Y=0.79300000 Z=0.51000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -6: X=0.00000000 Y=0.65250000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.00000000 Y=0.34750000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.00000000 Y=0.09910000 Z=0.00800000 MULT= 4 ISPLIT= 8 -7: X=0.00000000 Y=0.90090000 Z=0.99200000 -7: X=0.00000000 Y=0.09910000 Z=0.49200000 -7: X=0.00000000 Y=0.90090000 Z=0.50800000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -8: X=0.00000000 Y=0.45240000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.00000000 Y=0.54760000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -9: X=0.00000000 Y=0.00000000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000