F   LATTICE,NONEQUIV.ATOMS   5  203 Fd-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 31.482837 31.482837 31.482837 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.25000000 Y=0.25000000 Z=0.00000000
      -1: X=0.00000000 Y=0.25000000 Z=0.25000000
      -1: X=0.25000000 Y=0.00000000 Z=0.25000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM   2: X=0.62500000 Y=0.62500000 Z=0.62500000
          MULT= 2          ISPLIT= 2
       2: X=0.37500000 Y=0.37500000 Z=0.37500000
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   3: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 2
       3: X=0.87500000 Y=0.87500000 Z=0.87500000
As         NPT=  781  R0=.000050000 RMT= 2.17        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20516000 Y=0.20516000 Z=0.20516000
          MULT= 8          ISPLIT= 4
      -4: X=0.79484000 Y=0.79484000 Z=0.79484000
      -4: X=0.04484000 Y=0.04484000 Z=0.20516000
      -4: X=0.45516000 Y=0.45516000 Z=0.79484000
      -4: X=0.20516000 Y=0.04484000 Z=0.04484000
      -4: X=0.79484000 Y=0.45516000 Z=0.45516000
      -4: X=0.04484000 Y=0.20516000 Z=0.04484000
      -4: X=0.45516000 Y=0.79484000 Z=0.45516000
Se         NPT=  781  R0=.000050000 RMT= 2.17        Z:  34.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.01201000 Y=0.11100000 Z=0.42978000
          MULT=24          ISPLIT= 8
      -5: X=0.98799000 Y=0.88900000 Z=0.57022000
      -5: X=0.23799000 Y=0.13900000 Z=0.42978000
      -5: X=0.26201000 Y=0.36100000 Z=0.57022000
      -5: X=0.01201000 Y=0.13900000 Z=0.82022000
      -5: X=0.98799000 Y=0.36100000 Z=0.67978000
      -5: X=0.42978000 Y=0.01201000 Z=0.11100000
      -5: X=0.57022000 Y=0.98799000 Z=0.88900000
      -5: X=0.23799000 Y=0.11100000 Z=0.82022000
      -5: X=0.26201000 Y=0.88900000 Z=0.67978000
      -5: X=0.82022000 Y=0.23799000 Z=0.11100000
      -5: X=0.67978000 Y=0.26201000 Z=0.88900000
      -5: X=0.42978000 Y=0.23799000 Z=0.13900000
      -5: X=0.57022000 Y=0.26201000 Z=0.36100000
      -5: X=0.82022000 Y=0.01201000 Z=0.13900000
      -5: X=0.67978000 Y=0.98799000 Z=0.36100000
      -5: X=0.11100000 Y=0.42978000 Z=0.01201000
      -5: X=0.88900000 Y=0.57022000 Z=0.98799000
      -5: X=0.13900000 Y=0.82022000 Z=0.01201000
      -5: X=0.36100000 Y=0.67978000 Z=0.98799000
      -5: X=0.11100000 Y=0.82022000 Z=0.23799000
      -5: X=0.88900000 Y=0.67978000 Z=0.26201000
      -5: X=0.13900000 Y=0.42978000 Z=0.23799000
      -5: X=0.36100000 Y=0.57022000 Z=0.26201000
Se         NPT=  781  R0=.000050000 RMT= 2.17        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000