R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.089584  9.089584 88.123601 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.24        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21426000 Y=0.21426000 Z=0.21426000
          MULT= 4          ISPLIT= 4
      -2: X=0.78574000 Y=0.78574000 Z=0.78574000
      -2: X=0.71426000 Y=0.71426000 Z=0.71426000
      -2: X=0.28574000 Y=0.28574000 Z=0.28574000
Al         NPT=  781  R0=.000100000 RMT= 1.57        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=0.43742000 Y=0.87203000 Z=0.09582000
          MULT=12          ISPLIT= 8
      -3: X=0.56258000 Y=0.12797000 Z=0.90418000
      -3: X=0.87203000 Y=0.09582000 Z=0.43742000
      -3: X=0.12797000 Y=0.90418000 Z=0.56258000
      -3: X=0.93742000 Y=0.59582000 Z=0.37203000
      -3: X=0.06258000 Y=0.40418000 Z=0.62797000
      -3: X=0.09582000 Y=0.43742000 Z=0.87203000
      -3: X=0.90418000 Y=0.56258000 Z=0.12797000
      -3: X=0.59582000 Y=0.37203000 Z=0.93742000
      -3: X=0.40418000 Y=0.62797000 Z=0.06258000
      -3: X=0.37203000 Y=0.93742000 Z=0.59582000
      -3: X=0.62797000 Y=0.06258000 Z=0.40418000
O          NPT=  781  R0=.000100000 RMT= 1.38        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  -4: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -4: X=0.75000000 Y=0.75000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.38        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=0.13424000 Y=0.13424000 Z=0.13424000
          MULT= 4          ISPLIT= 4
      -5: X=0.86576000 Y=0.86576000 Z=0.86576000
      -5: X=0.63424000 Y=0.63424000 Z=0.63424000
      -5: X=0.36576000 Y=0.36576000 Z=0.36576000
B          NPT=  781  R0=.000100000 RMT= 1.19        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000