CXZ LATTICE,NONEQUIV.ATOMS   6    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 14.541443 13.392489  8.392274 90.000000 90.000000 68.800000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.50000000 Z=0.51200000
          MULT= 1          ISPLIT= 8
B          NPT=  781  R0=.000100000 RMT= 1.16        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.69400000 Y=0.41800000 Z=0.49000000
          MULT= 2          ISPLIT= 8
      -3: X=0.30600000 Y=0.58200000 Z=0.49000000
Be         NPT=  781  R0=.000100000 RMT= 1.32        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  -4: X=0.00000000 Y=0.50000000 Z=0.18200000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.35        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=0.65500000 Y=0.50300000 Z=0.14300000
          MULT= 2          ISPLIT= 8
      -5: X=0.34500000 Y=0.49700000 Z=0.14300000
O          NPT=  781  R0=.000100000 RMT= 1.35        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  -6: X=0.77400000 Y=0.18200000 Z=0.49800000
          MULT= 2          ISPLIT= 8
      -6: X=0.22600000 Y=0.81800000 Z=0.49800000
F          NPT=  781  R0=.000100000 RMT= 1.61        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000