R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.983973 13.983973 20.484629 90.000000 90.000000120.000000                   
ATOM  -1: X=0.34000000 Y=0.34000000 Z=0.34000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66000000 Y=0.66000000 Z=0.66000000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
Be         NPT=  781  R0=.000100000 RMT= 1.95        Z:   4.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.29700000 Y=0.70300000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -3: X=0.70300000 Y=0.29700000 Z=0.00000000
      -3: X=0.70300000 Y=0.00000000 Z=0.29700000
      -3: X=0.29700000 Y=0.00000000 Z=0.70300000
      -3: X=0.00000000 Y=0.29700000 Z=0.70300000
      -3: X=0.00000000 Y=0.70300000 Z=0.29700000
Be         NPT=  781  R0=.000100000 RMT= 1.95        Z:   4.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.67000000 Y=0.17801000 Z=0.67000000
          MULT= 6          ISPLIT= 8
      -4: X=0.33000000 Y=0.82199000 Z=0.33000000
      -4: X=0.17801000 Y=0.67000000 Z=0.67000000
      -4: X=0.82199000 Y=0.33000000 Z=0.33000000
      -4: X=0.67000000 Y=0.67000000 Z=0.17801000
      -4: X=0.33000000 Y=0.33000000 Z=0.82199000
Be         NPT=  781  R0=.000100000 RMT= 1.95        Z:   4.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.10300000 Y=0.10300000 Z=0.10300000
          MULT= 2          ISPLIT= 4
      -5: X=0.89700000 Y=0.89700000 Z=0.89700000
Be         NPT=  781  R0=.000100000 RMT= 1.95        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000