B   LATTICE,NONEQUIV.ATOMS   2  122 I-42d                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.237866 12.237866  6.489320 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05701000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -1: X=0.25000000 Y=0.94299000 Z=0.87500000
      -1: X=0.94299000 Y=0.75000000 Z=0.12500000
      -1: X=0.75000000 Y=0.05701000 Z=0.87500000
C          NPT=  781  R0=.000100000 RMT= 1.35        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.18919000 Y=0.06914000 Z=0.21428000
          MULT= 8          ISPLIT= 8
      -2: X=0.06914000 Y=0.81081000 Z=0.78572000
      -2: X=0.18919000 Y=0.43086000 Z=0.03572000
      -2: X=0.81081000 Y=0.93086000 Z=0.21428000
      -2: X=0.93086000 Y=0.31081000 Z=0.46428000
      -2: X=0.93086000 Y=0.18919000 Z=0.78572000
      -2: X=0.81081000 Y=0.56914000 Z=0.03572000
      -2: X=0.06914000 Y=0.68919000 Z=0.46428000
N          NPT=  781  R0=.000100000 RMT= 1.27        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000