CXY LATTICE,NONEQUIV.ATOMS 6 63 Cmcm MODE OF CALC=RELA unit=bohr 6.098146 17.092573 41.490827 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.07400000 Z=0.05900000 MULT= 4 ISPLIT=15 -1: X=0.00000000 Y=0.92600000 Z=0.94100000 -1: X=0.00000000 Y=0.07400000 Z=0.44100000 -1: X=0.00000000 Y=0.92600000 Z=0.55900000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 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=0.52000000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.48000000 Z=0.75000000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 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=0.06100000 Z=0.66300000 MULT= 4 ISPLIT=15 -3: X=0.00000000 Y=0.93900000 Z=0.33700000 -3: X=0.00000000 Y=0.06100000 Z=0.83700000 -3: X=0.00000000 Y=0.93900000 Z=0.16300000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 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=0.67600000 Z=0.13700000 MULT= 4 ISPLIT=15 -4: X=0.00000000 Y=0.32400000 Z=0.86300000 -4: X=0.00000000 Y=0.67600000 Z=0.36300000 -4: X=0.00000000 Y=0.32400000 Z=0.63700000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.35300000 Z=0.03200000 MULT= 4 ISPLIT=15 -5: X=0.00000000 Y=0.64700000 Z=0.96800000 -5: X=0.00000000 Y=0.35300000 Z=0.46800000 -5: X=0.00000000 Y=0.64700000 Z=0.53200000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.00000000 Y=0.23900000 Z=0.25000000 MULT= 2 ISPLIT=15 -6: X=0.00000000 Y=0.76100000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000