R LATTICE,NONEQUIV.ATOMS 7 148 R-3 MODE OF CALC=RELA unit=bohr 26.992850 26.992850 18.041212 90.000000 90.000000120.000000 ATOM -1: X=0.46463000 Y=0.23021000 Z=0.05564000 MULT= 6 ISPLIT= 8 -1: X=0.53537000 Y=0.76979000 Z=0.94436000 -1: X=0.23021000 Y=0.05564000 Z=0.46463000 -1: X=0.76979000 Y=0.94436000 Z=0.53537000 -1: X=0.05564000 Y=0.46463000 Z=0.23021000 -1: X=0.94436000 Y=0.53537000 Z=0.76979000 Ge NPT= 781 R0=.000050000 RMT= 1.70 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 -2: X=0.44246000 Y=0.60835000 Z=0.20070000 MULT= 6 ISPLIT= 8 -2: X=0.55754000 Y=0.39165000 Z=0.79930000 -2: X=0.60835000 Y=0.20070000 Z=0.44246000 -2: X=0.39165000 Y=0.79930000 Z=0.55754000 -2: X=0.20070000 Y=0.44246000 Z=0.60835000 -2: X=0.79930000 Y=0.55754000 Z=0.39165000 Zn NPT= 781 R0=.000050000 RMT= 1.96 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.10617000 Y=0.27367000 Z=0.87342000 MULT= 6 ISPLIT= 8 -3: X=0.89383000 Y=0.72633000 Z=0.12658000 -3: X=0.27367000 Y=0.87342000 Z=0.10617000 -3: X=0.72633000 Y=0.12658000 Z=0.89383000 -3: X=0.87342000 Y=0.10617000 Z=0.27367000 -3: X=0.12658000 Y=0.89383000 Z=0.72633000 Zn NPT= 781 R0=.000050000 RMT= 1.96 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.30427000 Y=0.01688000 Z=0.97054000 MULT= 6 ISPLIT= 8 -4: X=0.69573000 Y=0.98312000 Z=0.02946000 -4: X=0.01688000 Y=0.97054000 Z=0.30427000 -4: X=0.98312000 Y=0.02946000 Z=0.69573000 -4: X=0.97054000 Y=0.30427000 Z=0.01688000 -4: X=0.02946000 Y=0.69573000 Z=0.98312000 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.61179000 Y=0.31531000 Z=0.28040000 MULT= 6 ISPLIT= 8 -5: X=0.38821000 Y=0.68469000 Z=0.71960000 -5: X=0.31531000 Y=0.28040000 Z=0.61179000 -5: X=0.68469000 Y=0.71960000 Z=0.38821000 -5: X=0.28040000 Y=0.61179000 Z=0.31531000 -5: X=0.71960000 Y=0.38821000 Z=0.68469000 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.35637000 Y=0.36450000 Z=0.03282000 MULT= 6 ISPLIT= 8 -6: X=0.64363000 Y=0.63550000 Z=0.96718000 -6: X=0.36450000 Y=0.03282000 Z=0.35637000 -6: X=0.63550000 Y=0.96718000 Z=0.64363000 -6: X=0.03282000 Y=0.35637000 Z=0.36450000 -6: X=0.96718000 Y=0.64363000 Z=0.63550000 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.42192000 Y=0.75252000 Z=0.07372000 MULT= 6 ISPLIT= 8 -7: X=0.57808000 Y=0.24748000 Z=0.92628000 -7: X=0.75252000 Y=0.07372000 Z=0.42192000 -7: X=0.24748000 Y=0.92628000 Z=0.57808000 -7: X=0.07372000 Y=0.42192000 Z=0.75252000 -7: X=0.92628000 Y=0.57808000 Z=0.24748000 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000