B   LATTICE,NONEQUIV.ATOMS   5  199 I213                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.031097 20.031097 20.031097 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Y          NPT=  781  R0=.000010000 RMT= 2.04        Z:  39.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.22900000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.77100000 Y=0.50000000 Z=0.25000000
      -2: X=0.25000000 Y=0.22900000 Z=0.00000000
      -2: X=0.75000000 Y=0.27100000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.22900000
      -2: X=0.00000000 Y=0.75000000 Z=0.27100000
Y          NPT=  781  R0=.000010000 RMT= 2.04        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.70800000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.29200000 Y=0.50000000 Z=0.25000000
      -3: X=0.25000000 Y=0.70800000 Z=0.00000000
      -3: X=0.75000000 Y=0.79200000 Z=0.00000000
      -3: X=0.00000000 Y=0.25000000 Z=0.70800000
      -3: X=0.00000000 Y=0.75000000 Z=0.79200000
Y          NPT=  781  R0=.000010000 RMT= 2.04        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.12500000 Y=0.12500000 Z=0.37500000
          MULT=12          ISPLIT= 8
      -4: X=0.87500000 Y=0.37500000 Z=0.37500000
      -4: X=0.12500000 Y=0.87500000 Z=0.12500000
      -4: X=0.37500000 Y=0.12500000 Z=0.12500000
      -4: X=0.87500000 Y=0.62500000 Z=0.12500000
      -4: X=0.62500000 Y=0.37500000 Z=0.12500000
      -4: X=0.37500000 Y=0.87500000 Z=0.37500000
      -4: X=0.62500000 Y=0.62500000 Z=0.37500000
      -4: X=0.12500000 Y=0.37500000 Z=0.12500000
      -4: X=0.87500000 Y=0.12500000 Z=0.12500000
      -4: X=0.12500000 Y=0.62500000 Z=0.37500000
      -4: X=0.87500000 Y=0.87500000 Z=0.37500000
O          NPT=  781  R0=.000100000 RMT= 1.85        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=0.12500000 Y=0.37500000 Z=0.37500000
          MULT=12          ISPLIT= 8
      -5: X=0.87500000 Y=0.12500000 Z=0.37500000
      -5: X=0.12500000 Y=0.62500000 Z=0.12500000
      -5: X=0.37500000 Y=0.12500000 Z=0.37500000
      -5: X=0.87500000 Y=0.87500000 Z=0.12500000
      -5: X=0.62500000 Y=0.37500000 Z=0.37500000
      -5: X=0.37500000 Y=0.87500000 Z=0.12500000
      -5: X=0.62500000 Y=0.62500000 Z=0.12500000
      -5: X=0.37500000 Y=0.37500000 Z=0.12500000
      -5: X=0.62500000 Y=0.12500000 Z=0.12500000
      -5: X=0.37500000 Y=0.62500000 Z=0.37500000
      -5: X=0.62500000 Y=0.87500000 Z=0.37500000
O          NPT=  781  R0=.000100000 RMT= 1.85        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000