R   LATTICE,NONEQUIV.ATOMS   8  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.067911  6.067911104.067218 90.000000 90.000000120.000000                   
ATOM  -1: X=0.31490000 Y=0.31490000 Z=0.31490000
          MULT= 2          ISPLIT= 4
      -1: X=0.68510000 Y=0.68510000 Z=0.68510000
Al         NPT=  781  R0=.000100000 RMT= 1.85        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=0.06340000 Y=0.06340000 Z=0.06340000
          MULT= 2          ISPLIT= 4
      -2: X=0.93660000 Y=0.93660000 Z=0.93660000
Al         NPT=  781  R0=.000100000 RMT= 1.85        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  -3: X=0.22400000 Y=0.22400000 Z=0.22400000
          MULT= 2          ISPLIT= 4
      -3: X=0.77600000 Y=0.77600000 Z=0.77600000
Al         NPT=  781  R0=.000100000 RMT= 1.85        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  -4: X=0.15020000 Y=0.15020000 Z=0.15020000
          MULT= 2          ISPLIT= 4
      -4: X=0.84980000 Y=0.84980000 Z=0.84980000
Al         NPT=  781  R0=.000100000 RMT= 1.85        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  -5: X=0.27880000 Y=0.27880000 Z=0.27880000
          MULT= 2          ISPLIT= 4
      -5: X=0.72120000 Y=0.72120000 Z=0.72120000
N          NPT=  781  R0=.000100000 RMT= 1.76        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.09920000 Y=0.09920000 Z=0.09920000
          MULT= 2          ISPLIT= 4
      -6: X=0.90080000 Y=0.90080000 Z=0.90080000
N          NPT=  781  R0=.000100000 RMT= 1.76        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.67        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.18830000 Y=0.18830000 Z=0.18830000
          MULT= 2          ISPLIT= 4
      -8: X=0.81170000 Y=0.81170000 Z=0.81170000
C          NPT=  781  R0=.000100000 RMT= 1.67        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000