B   LATTICE,NONEQUIV.ATOMS   2  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.242316 10.242316 10.242316 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Si         NPT=  781  R0=.000100000 RMT= 1.36        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17200000 Y=0.17200000 Z=0.17200000
          MULT= 4          ISPLIT= 4
      -2: X=0.17200000 Y=0.82800000 Z=0.82800000
      -2: X=0.82800000 Y=0.82800000 Z=0.17200000
      -2: X=0.82800000 Y=0.17200000 Z=0.82800000
F          NPT=  781  R0=.000100000 RMT= 1.67        Z:   9.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503