R   LATTICE,NONEQUIV.ATOMS   5  155 R32                                        
MODE OF CALC=RELA unit=bohr                                                    
  8.388684  8.388684 39.920465 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23493000 Y=0.23493000 Z=0.23493000
          MULT= 2          ISPLIT= 4
      -2: X=0.76507000 Y=0.76507000 Z=0.76507000
F          NPT=  781  R0=.000100000 RMT= 1.58        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.30960000 Y=0.69040000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -3: X=0.69040000 Y=0.00000000 Z=0.30960000
      -3: X=0.00000000 Y=0.30960000 Z=0.69040000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30710000 Y=0.30710000 Z=0.30710000
          MULT= 2          ISPLIT= 4
      -4: X=0.69290000 Y=0.69290000 Z=0.69290000
Be         NPT=  781  R0=.000100000 RMT= 1.29        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  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
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