B   LATTICE,NONEQUIV.ATOMS   2  220 I-43d                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.615477 13.615477 13.615477 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05000000 Y=0.05000000 Z=0.05000000
          MULT= 8          ISPLIT= 4
      -1: X=0.30000000 Y=0.70000000 Z=0.20000000
      -1: X=0.05000000 Y=0.95000000 Z=0.45000000
      -1: X=0.95000000 Y=0.45000000 Z=0.05000000
      -1: X=0.20000000 Y=0.70000000 Z=0.80000000
      -1: X=0.20000000 Y=0.30000000 Z=0.70000000
      -1: X=0.95000000 Y=0.55000000 Z=0.45000000
      -1: X=0.30000000 Y=0.30000000 Z=0.30000000
Sc         NPT=  781  R0=.000050000 RMT= 2.27        Z:  21.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.28750000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -2: X=0.25000000 Y=0.46250000 Z=0.00000000
      -2: X=0.25000000 Y=0.28750000 Z=0.00000000
      -2: X=0.71250000 Y=0.50000000 Z=0.25000000
      -2: X=0.53750000 Y=0.50000000 Z=0.25000000
      -2: X=0.25000000 Y=0.53750000 Z=0.50000000
      -2: X=0.75000000 Y=0.21250000 Z=0.00000000
      -2: X=0.96250000 Y=0.50000000 Z=0.75000000
      -2: X=0.00000000 Y=0.25000000 Z=0.46250000
      -2: X=0.00000000 Y=0.25000000 Z=0.28750000
      -2: X=0.00000000 Y=0.75000000 Z=0.03750000
      -2: X=0.00000000 Y=0.75000000 Z=0.21250000
C          NPT=  781  R0=.000100000 RMT= 1.18        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000