H LATTICE,NONEQUIV.ATOMS 4 176 P63/m MODE OF CALC=RELA unit=bohr 13.383607 13.383607 18.069750 90.000000 90.000000120.000000 ATOM -1: X=0.43390000 Y=0.10120000 Z=0.10060000 MULT=12 ISPLIT= 8 -1: X=0.56610000 Y=0.89880000 Z=0.89940000 -1: X=0.33270000 Y=0.43390000 Z=0.60060000 -1: X=0.66730000 Y=0.56610000 Z=0.39940000 -1: X=0.89880000 Y=0.33270000 Z=0.10060000 -1: X=0.10120000 Y=0.66730000 Z=0.89940000 -1: X=0.56610000 Y=0.89880000 Z=0.60060000 -1: X=0.43390000 Y=0.10120000 Z=0.39940000 -1: X=0.66730000 Y=0.56610000 Z=0.10060000 -1: X=0.33270000 Y=0.43390000 Z=0.89940000 -1: X=0.10120000 Y=0.66730000 Z=0.60060000 -1: X=0.89880000 Y=0.33270000 Z=0.39940000 O NPT= 781 R0=.000100000 RMT= 1.53 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 -2: X=0.18910000 Y=0.26020000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.81090000 Y=0.73980000 Z=0.75000000 -2: X=0.92890000 Y=0.18910000 Z=0.75000000 -2: X=0.07110000 Y=0.81090000 Z=0.25000000 -2: X=0.73980000 Y=0.92890000 Z=0.25000000 -2: X=0.26020000 Y=0.07110000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.53 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 -3: X=0.33333333 Y=0.66666667 Z=0.01460000 MULT= 4 ISPLIT= 4 -3: X=0.66666667 Y=0.33333333 Z=0.98540000 -3: X=0.66666666 Y=0.33333333 Z=0.51460000 -3: X=0.33333334 Y=0.66666667 Z=0.48540000 Sb NPT= 781 R0=.000010000 RMT= 2.00 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.28870000 Y=0.08400000 Z=0.25000000 MULT= 6 ISPLIT= 8 -4: X=0.71130000 Y=0.91600000 Z=0.75000000 -4: X=0.20470000 Y=0.28870000 Z=0.75000000 -4: X=0.79530000 Y=0.71130000 Z=0.25000000 -4: X=0.91600000 Y=0.20470000 Z=0.25000000 -4: X=0.08400000 Y=0.79530000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 1.69 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000