F   LATTICE,NONEQUIV.ATOMS   3  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.785767 18.785767 18.785767 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.43590000 Y=0.12500000 Z=0.12500000
          MULT=12          ISPLIT= 8
      -1: X=0.56410000 Y=0.87500000 Z=0.87500000
      -1: X=0.87500000 Y=0.68590000 Z=0.37500000
      -1: X=0.12500000 Y=0.81410000 Z=0.12500000
      -1: X=0.12500000 Y=0.43590000 Z=0.12500000
      -1: X=0.87500000 Y=0.56410000 Z=0.87500000
      -1: X=0.81410000 Y=0.12500000 Z=0.12500000
      -1: X=0.68590000 Y=0.37500000 Z=0.87500000
      -1: X=0.37500000 Y=0.87500000 Z=0.68590000
      -1: X=0.12500000 Y=0.12500000 Z=0.81410000
      -1: X=0.12500000 Y=0.12500000 Z=0.43590000
      -1: X=0.87500000 Y=0.87500000 Z=0.56410000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM  -2: X=0.25797000 Y=0.25797000 Z=0.25797000
          MULT= 8          ISPLIT= 4
      -2: X=0.74203000 Y=0.74203000 Z=0.74203000
      -2: X=0.74203000 Y=0.50797000 Z=0.50797000
      -2: X=0.25797000 Y=0.99203000 Z=0.99203000
      -2: X=0.99203000 Y=0.99203000 Z=0.25797000
      -2: X=0.50797000 Y=0.50797000 Z=0.74203000
      -2: X=0.50797000 Y=0.74203000 Z=0.50797000
      -2: X=0.99203000 Y=0.25797000 Z=0.99203000
As         NPT=  781  R0=.000050000 RMT= 1.77        Z:  33.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -3: X=0.00000000 Y=0.25000000 Z=0.25000000
      -3: X=0.25000000 Y=0.25000000 Z=0.00000000
      -3: X=0.25000000 Y=0.00000000 Z=0.25000000
He         NPT=  781  R0=.000100000 RMT= 2.23        Z:   2.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503