F   LATTICE,NONEQUIV.ATOMS   2  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.987753 13.987753 13.987753 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.16850000 Z=0.16850000
          MULT=12          ISPLIT= 8
      -2: X=0.50000000 Y=0.83150000 Z=0.83150000
      -2: X=0.83150000 Y=0.50000000 Z=0.16850000
      -2: X=0.16850000 Y=0.50000000 Z=0.83150000
      -2: X=0.16850000 Y=0.50000000 Z=0.16850000
      -2: X=0.83150000 Y=0.50000000 Z=0.83150000
      -2: X=0.50000000 Y=0.83150000 Z=0.16850000
      -2: X=0.50000000 Y=0.16850000 Z=0.83150000
      -2: X=0.16850000 Y=0.83150000 Z=0.50000000
      -2: X=0.83150000 Y=0.16850000 Z=0.50000000
      -2: X=0.16850000 Y=0.16850000 Z=0.50000000
      -2: X=0.83150000 Y=0.83150000 Z=0.50000000
B          NPT=  781  R0=.000100000 RMT= 1.60        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068