R   LATTICE,NONEQUIV.ATOMS   6  146 R3                                         
MODE OF CALC=RELA unit=bohr                                                    
 11.761656 11.761656 36.830760 90.000000 90.000000120.000000                   
ATOM  -1: X=0.67090000 Y=0.67090000 Z=0.67090000
          MULT= 1          ISPLIT= 4
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=0.32869000 Y=0.32869000 Z=0.32869000
          MULT= 1          ISPLIT= 4
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=0.94333000 Y=0.94333000 Z=0.94333000
          MULT= 1          ISPLIT= 4
P          NPT=  781  R0=.000100000 RMT= 1.85        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  -4: X=0.05763000 Y=0.05763000 Z=0.05763000
          MULT= 1          ISPLIT= 4
P          NPT=  781  R0=.000100000 RMT= 1.85        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  -5: X=0.60350000 Y=0.23491000 Z=0.90130000
          MULT= 3          ISPLIT= 8
      -5: X=0.23491000 Y=0.90130000 Z=0.60350000
      -5: X=0.90130000 Y=0.60350000 Z=0.23491000
S          NPT=  781  R0=.000100000 RMT= 1.95        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.09510000 Y=0.39389000 Z=0.76970000
          MULT= 3          ISPLIT= 8
      -6: X=0.39389000 Y=0.76970000 Z=0.09510000
      -6: X=0.76970000 Y=0.09510000 Z=0.39389000
S          NPT=  781  R0=.000100000 RMT= 1.95        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000