B   LATTICE,NONEQUIV.ATOMS   3  121 I-42m                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.988757 10.988757 21.977515 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.50000000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.41        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26300000 Y=0.26300000 Z=0.12700000
          MULT= 4          ISPLIT= 8
      -3: X=0.26300000 Y=0.73700000 Z=0.87300000
      -3: X=0.73700000 Y=0.73700000 Z=0.12700000
      -3: X=0.73700000 Y=0.26300000 Z=0.87300000
Se         NPT=  781  R0=.000050000 RMT= 2.30        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000