R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.905944  9.905944 28.067722 90.000000 90.000000120.000000                   
ATOM  -1: X=0.36390000 Y=0.36390000 Z=0.36390000
          MULT= 2          ISPLIT= 4
      -1: X=0.63610000 Y=0.63610000 Z=0.63610000
Cd         NPT=  781  R0=.000010000 RMT= 2.24        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  -2: X=0.15090000 Y=0.15090000 Z=0.15090000
          MULT= 2          ISPLIT= 4
      -2: X=0.84910000 Y=0.84910000 Z=0.84910000
Ti         NPT=  781  R0=.000050000 RMT= 1.86        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.43850000 Y=0.80470000 Z=0.03640000
          MULT= 6          ISPLIT= 8
      -3: X=0.56150000 Y=0.19530000 Z=0.96360000
      -3: X=0.80470000 Y=0.03640000 Z=0.43850000
      -3: X=0.19530000 Y=0.96360000 Z=0.56150000
      -3: X=0.03640000 Y=0.43850000 Z=0.80470000
      -3: X=0.96360000 Y=0.56150000 Z=0.19530000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000