CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 7.141275 19.535989 26.157589 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.07110000 Z=0.10877000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.92890000 Z=0.89123000 -1: X=0.00000000 Y=0.07110000 Z=0.39123000 -1: X=0.00000000 Y=0.92890000 Z=0.60877000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 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=0.38410000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.61590000 Z=0.75000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 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=0.35800000 Z=0.04850000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.64200000 Z=0.95150000 -3: X=0.00000000 Y=0.35800000 Z=0.45150000 -3: X=0.00000000 Y=0.64200000 Z=0.54850000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.67330000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.32670000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000