B   LATTICE,NONEQUIV.ATOMS   3   98 I4122                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.421840 10.421840 20.956118 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14024000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.64024000 Z=0.37500000
      -1: X=0.85976000 Y=0.75000000 Z=0.12500000
      -1: X=0.25000000 Y=0.35976000 Z=0.37500000
Si         NPT=  781  R0=.000100000 RMT= 1.38        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.10881000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.35881000
      -2: X=0.00000000 Y=0.50000000 Z=0.14119000
      -2: X=0.00000000 Y=0.00000000 Z=0.89119000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29068000 Y=0.29068000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.70932000 Y=0.79068000 Z=0.25000000
      -3: X=0.29068000 Y=0.20932000 Z=0.25000000
      -3: X=0.70932000 Y=0.70932000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000