R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.305898 12.305898 37.917356 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33300000 Y=0.33300000 Z=0.33300000
          MULT= 2          ISPLIT= 4
      -1: X=0.66700000 Y=0.66700000 Z=0.66700000
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  -2: X=0.05300000 Y=0.05300000 Z=0.05300000
          MULT= 2          ISPLIT= 4
      -2: X=0.94700000 Y=0.94700000 Z=0.94700000
P          NPT=  781  R0=.000100000 RMT= 1.92        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09000000 Y=0.41701000 Z=0.75000000
          MULT= 6          ISPLIT= 8
      -3: X=0.91000000 Y=0.58299000 Z=0.25000000
      -3: X=0.41701000 Y=0.75000000 Z=0.09000000
      -3: X=0.58299000 Y=0.25000000 Z=0.91000000
      -3: X=0.75000000 Y=0.09000000 Z=0.41701000
      -3: X=0.25000000 Y=0.91000000 Z=0.58299000
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000