B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.743428  9.743428 21.157374 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.87500000
Mo         NPT=  781  R0=.000010000 RMT= 1.73        Z:  42.00000              
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=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.37500000
Cd         NPT=  781  R0=.000010000 RMT= 2.42        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=0.24000000 Y=0.09100000 Z=0.04210000
          MULT= 8          ISPLIT= 8
      -3: X=0.76000000 Y=0.90900000 Z=0.95790000
      -3: X=0.15900000 Y=0.99000000 Z=0.79210000
      -3: X=0.34100000 Y=0.51000000 Z=0.70790000
      -3: X=0.76000000 Y=0.40900000 Z=0.04210000
      -3: X=0.24000000 Y=0.59100000 Z=0.95790000
      -3: X=0.34100000 Y=0.01000000 Z=0.29210000
      -3: X=0.15900000 Y=0.49000000 Z=0.20790000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000