F   LATTICE,NONEQUIV.ATOMS   4  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.692836 19.692836 19.692836 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 4          ISPLIT= 4
      -1: X=0.50000000 Y=0.75000000 Z=0.75000000
      -1: X=0.75000000 Y=0.75000000 Z=0.50000000
      -1: X=0.75000000 Y=0.50000000 Z=0.75000000
Ta         NPT=  781  R0=.000005000 RMT= 1.99        Z:  73.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.00000000 Y=0.25000000 Z=0.25000000
      -2: X=0.25000000 Y=0.25000000 Z=0.00000000
      -2: X=0.25000000 Y=0.00000000 Z=0.25000000
Ca         NPT=  781  R0=.000050000 RMT= 2.07        Z:  20.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.43270000 Y=0.12500000 Z=0.12500000
          MULT=12          ISPLIT= 8
      -3: X=0.56730000 Y=0.87500000 Z=0.87500000
      -3: X=0.87500000 Y=0.68270000 Z=0.37500000
      -3: X=0.12500000 Y=0.81730000 Z=0.12500000
      -3: X=0.12500000 Y=0.43270000 Z=0.12500000
      -3: X=0.87500000 Y=0.56730000 Z=0.87500000
      -3: X=0.81730000 Y=0.12500000 Z=0.12500000
      -3: X=0.68270000 Y=0.37500000 Z=0.87500000
      -3: X=0.37500000 Y=0.87500000 Z=0.68270000
      -3: X=0.12500000 Y=0.12500000 Z=0.81730000
      -3: X=0.12500000 Y=0.12500000 Z=0.43270000
      -3: X=0.87500000 Y=0.87500000 Z=0.56730000
O          NPT=  781  R0=.000100000 RMT= 1.71        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   4: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 2
       4: X=0.87500000 Y=0.87500000 Z=0.87500000
F          NPT=  781  R0=.000100000 RMT= 2.17        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000