CXY LATTICE,NONEQUIV.ATOMS 5 36 Cmc21 MODE OF CALC=RELA unit=bohr 6.704748 19.723072 20.554551 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.13500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.86500000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.47 Z: 78.00000 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=0.43100000 Z=0.38200000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.56900000 Z=0.88200000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.17100000 Z=0.59300000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.82900000 Z=0.09300000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 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=0.71900000 Z=0.37200000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.28100000 Z=0.87200000 S NPT= 781 R0=.000100000 RMT= 1.92 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.54900000 Z=0.13700000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.45100000 Z=0.63700000 S NPT= 781 R0=.000100000 RMT= 1.92 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000