R LATTICE,NONEQUIV.ATOMS 3 148 R-3 MODE OF CALC=RELA unit=bohr 9.366995 9.366995 26.191604 90.000000 90.000000120.000000 ATOM -1: X=0.13304000 Y=0.13304000 Z=0.13304000 MULT= 2 ISPLIT= 4 -1: X=0.86696000 Y=0.86696000 Z=0.86696000 Zn NPT= 781 R0=.000050000 RMT= 2.02 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 -2: X=0.34403000 Y=0.34403000 Z=0.34403000 MULT= 2 ISPLIT= 4 -2: X=0.65597000 Y=0.65597000 Z=0.65597000 Ge NPT= 781 R0=.000050000 RMT= 1.84 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 -3: X=0.45500000 Y=0.71319000 Z=0.06050000 MULT= 6 ISPLIT= 8 -3: X=0.54500000 Y=0.28681000 Z=0.93950000 -3: X=0.71319000 Y=0.06050000 Z=0.45500000 -3: X=0.28681000 Y=0.93950000 Z=0.54500000 -3: X=0.06050000 Y=0.45500000 Z=0.71319000 -3: X=0.93950000 Y=0.54500000 Z=0.28681000 O NPT= 781 R0=.000100000 RMT= 1.66 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000