B   LATTICE,NONEQUIV.ATOMS   2  220 I-43d                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.621335 13.621335 13.621335 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04960000 Y=0.04960000 Z=0.04960000
          MULT= 8          ISPLIT= 4
      -1: X=0.29960000 Y=0.70040000 Z=0.20040000
      -1: X=0.04960000 Y=0.95040000 Z=0.45040000
      -1: X=0.95040000 Y=0.45040000 Z=0.04960000
      -1: X=0.20040000 Y=0.70040000 Z=0.79960000
      -1: X=0.20040000 Y=0.29960000 Z=0.70040000
      -1: X=0.95040000 Y=0.54960000 Z=0.45040000
      -1: X=0.29960000 Y=0.29960000 Z=0.29960000
Sc         NPT=  781  R0=.000050000 RMT= 2.33        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=0.37500000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=-2
      -2: X=0.25000000 Y=0.37500000 Z=0.00000000
      -2: X=0.62500000 Y=0.50000000 Z=0.25000000
      -2: X=0.25000000 Y=0.62500000 Z=0.50000000
      -2: X=0.00000000 Y=0.25000000 Z=0.37500000
      -2: X=0.00000000 Y=0.75000000 Z=0.12500000
C          NPT=  781  R0=.000100000 RMT= 1.91        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000