R   LATTICE,NONEQUIV.ATOMS   8  146 R3                                         
MODE OF CALC=RELA unit=bohr                                                    
 27.811099 27.811099 18.608128 90.000000 90.000000120.000000                   
ATOM  -1: X=0.77000000 Y=0.92189000 Z=0.30570000
          MULT= 3          ISPLIT= 8
      -1: X=0.92189000 Y=0.30570000 Z=0.77000000
      -1: X=0.30570000 Y=0.77000000 Z=0.92189000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.38365000 Y=0.45755000 Z=0.15675000
          MULT= 3          ISPLIT= 8
      -2: X=0.45755000 Y=0.15675000 Z=0.38365000
      -2: X=0.15675000 Y=0.38365000 Z=0.45755000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.69030000 Y=0.22349000 Z=0.07600000
          MULT= 3          ISPLIT= 8
      -3: X=0.22349000 Y=0.07600000 Z=0.69030000
      -3: X=0.07600000 Y=0.69030000 Z=0.22349000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.61340000 Y=0.53439000 Z=0.85710000
          MULT= 3          ISPLIT= 8
      -4: X=0.53439000 Y=0.85710000 Z=0.61340000
      -4: X=0.85710000 Y=0.61340000 Z=0.53439000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.52480000 Y=0.52480000 Z=0.52480000
          MULT= 1          ISPLIT= 4
Sc         NPT=  781  R0=.000050000 RMT= 2.36        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.27540000 Y=0.08750000 Z=0.02470000
          MULT= 3          ISPLIT= 8
      -6: X=0.08750000 Y=0.02470000 Z=0.27540000
      -6: X=0.02470000 Y=0.27540000 Z=0.08750000
Sc         NPT=  781  R0=.000050000 RMT= 2.36        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.72070000 Y=0.90319000 Z=0.96390000
          MULT= 3          ISPLIT= 8
      -7: X=0.90319000 Y=0.96390000 Z=0.72070000
      -7: X=0.96390000 Y=0.72070000 Z=0.90319000
Sc         NPT=  781  R0=.000050000 RMT= 2.36        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00400000 Y=0.00400000 Z=0.00400000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.93        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000