CXZ LATTICE,NONEQUIV.ATOMS   6    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 14.584906 12.831240  8.397943 90.000000 90.000000 67.200000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.51900000
          MULT= 1          ISPLIT= 8
B          NPT=  781  R0=.000100000 RMT= 1.17        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=0.80200000 Y=0.59000000 Z=0.02500000
          MULT= 2          ISPLIT= 8
      -3: X=0.19800000 Y=0.41000000 Z=0.02500000
Be         NPT=  781  R0=.000100000 RMT= 1.30        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=0.19000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.36        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=0.65600000 Y=0.49800000 Z=0.15700000
          MULT= 2          ISPLIT= 8
      -5: X=0.34400000 Y=0.50200000 Z=0.15700000
O          NPT=  781  R0=.000100000 RMT= 1.36        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=0.77800000 Y=0.16500000 Z=0.49600000
          MULT= 2          ISPLIT= 8
      -6: X=0.22200000 Y=0.83500000 Z=0.49600000
F          NPT=  781  R0=.000100000 RMT= 1.59        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000