R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.000982 14.000982 20.484631 90.000000 90.000000120.000000                   
ATOM  -1: X=0.10300000 Y=0.10300000 Z=0.10300000
          MULT= 2          ISPLIT= 4
      -1: X=0.89700000 Y=0.89700000 Z=0.89700000
Be         NPT=  781  R0=.000100000 RMT= 1.98        Z:   4.00000              
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= 1.98        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= 1.98        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=0.65800000 Y=0.16601000 Z=0.65800000
          MULT= 6          ISPLIT= 8
      -4: X=0.34200000 Y=0.83399000 Z=0.34200000
      -4: X=0.16601000 Y=0.65800000 Z=0.65800000
      -4: X=0.83399000 Y=0.34200000 Z=0.34200000
      -4: X=0.65800000 Y=0.65800000 Z=0.16601000
      -4: X=0.34200000 Y=0.34200000 Z=0.83399000
Be         NPT=  781  R0=.000100000 RMT= 1.98        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=0.34010000 Y=0.34010000 Z=0.34010000
          MULT= 2          ISPLIT= 4
      -5: X=0.65990000 Y=0.65990000 Z=0.65990000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000