F   LATTICE,NONEQUIV.ATOMS   3   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.308791 16.123143 42.464036 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.87500000
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=0.12500000 Y=0.29167000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -2: X=0.87500000 Y=0.70833000 Z=0.00000000
      -2: X=0.37500000 Y=0.54167000 Z=0.00000000
      -2: X=0.12500000 Y=0.95833000 Z=0.00000000
      -2: X=0.87500000 Y=0.54167000 Z=0.25000000
      -2: X=0.12500000 Y=0.95833000 Z=0.25000000
      -2: X=0.12500000 Y=0.29167000 Z=0.25000000
      -2: X=0.37500000 Y=0.70833000 Z=0.25000000
C          NPT=  781  R0=.000100000 RMT= 1.34        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37500000 Y=0.04167000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -3: X=0.62500000 Y=0.95833000 Z=0.00000000
      -3: X=0.62500000 Y=0.29167000 Z=0.00000000
      -3: X=0.87500000 Y=0.20833000 Z=0.00000000
      -3: X=0.62500000 Y=0.29167000 Z=0.25000000
      -3: X=0.37500000 Y=0.20833000 Z=0.25000000
      -3: X=0.87500000 Y=0.04167000 Z=0.25000000
      -3: X=0.62500000 Y=0.95833000 Z=0.25000000
C          NPT=  781  R0=.000100000 RMT= 1.34        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000