R LATTICE,NONEQUIV.ATOMS 3 167 R-3c MODE OF CALC=RELA unit=bohr 21.626405 21.626405 22.056126 90.000000 90.000000120.000000 ATOM -1: X=0.33371000 Y=0.92856000 Z=0.01574000 MULT=12 ISPLIT= 8 -1: X=0.66629000 Y=0.07144000 Z=0.98426000 -1: X=0.92856000 Y=0.01574000 Z=0.33371000 -1: X=0.07144000 Y=0.98426000 Z=0.66629000 -1: X=0.83371000 Y=0.51574000 Z=0.42856000 -1: X=0.16629000 Y=0.48426000 Z=0.57144000 -1: X=0.01574000 Y=0.33371000 Z=0.92856000 -1: X=0.98426000 Y=0.66629000 Z=0.07144000 -1: X=0.51574000 Y=0.42856000 Z=0.83371000 -1: X=0.48426000 Y=0.57144000 Z=0.16629000 -1: X=0.42856000 Y=0.83371000 Z=0.51574000 -1: X=0.57144000 Y=0.16629000 Z=0.48426000 Al NPT= 781 R0=.000100000 RMT= 2.24 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.60219000 Y=0.89781000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.39781000 Y=0.10219000 Z=0.75000000 -2: X=0.89781000 Y=0.25000000 Z=0.60219000 -2: X=0.10219000 Y=0.75000000 Z=0.39781000 -2: X=0.25000000 Y=0.60219000 Z=0.89781000 -2: X=0.75000000 Y=0.39781000 Z=0.10219000 Ge NPT= 781 R0=.000050000 RMT= 2.34 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.14331000 Y=0.14331000 Z=0.14331000 MULT= 4 ISPLIT= 4 -3: X=0.85669000 Y=0.85669000 Z=0.85669000 -3: X=0.64331000 Y=0.64331000 Z=0.64331000 -3: X=0.35669000 Y=0.35669000 Z=0.35669000 Ge NPT= 781 R0=.000050000 RMT= 2.34 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000