R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.936946 18.936946 96.170049 90.000000 90.000000120.000000                   
ATOM  -1: X=0.40750000 Y=0.17880000 Z=0.84900000
          MULT=12          ISPLIT= 8
      -1: X=0.59250000 Y=0.82120000 Z=0.15100000
      -1: X=0.17880000 Y=0.84900000 Z=0.40750000
      -1: X=0.82120000 Y=0.15100000 Z=0.59250000
      -1: X=0.90750000 Y=0.34900000 Z=0.67880000
      -1: X=0.09250000 Y=0.65100000 Z=0.32120000
      -1: X=0.84900000 Y=0.40750000 Z=0.17880000
      -1: X=0.15100000 Y=0.59250000 Z=0.82120000
      -1: X=0.34900000 Y=0.67880000 Z=0.90750000
      -1: X=0.65100000 Y=0.32120000 Z=0.09250000
      -1: X=0.67880000 Y=0.90750000 Z=0.34900000
      -1: X=0.32120000 Y=0.09250000 Z=0.65100000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.07940000 Y=0.07940000 Z=0.07940000
          MULT= 4          ISPLIT= 4
      -2: X=0.92060000 Y=0.92060000 Z=0.92060000
      -2: X=0.57940000 Y=0.57940000 Z=0.57940000
      -2: X=0.42060000 Y=0.42060000 Z=0.42060000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.42650000 Y=0.72880000 Z=0.00340000
          MULT=12          ISPLIT= 8
      -3: X=0.57350000 Y=0.27120000 Z=0.99660000
      -3: X=0.72880000 Y=0.00340000 Z=0.42650000
      -3: X=0.27120000 Y=0.99660000 Z=0.57350000
      -3: X=0.92650000 Y=0.50340000 Z=0.22880000
      -3: X=0.07350000 Y=0.49660000 Z=0.77120000
      -3: X=0.00340000 Y=0.42650000 Z=0.72880000
      -3: X=0.99660000 Y=0.57350000 Z=0.27120000
      -3: X=0.50340000 Y=0.22880000 Z=0.92650000
      -3: X=0.49660000 Y=0.77120000 Z=0.07350000
      -3: X=0.22880000 Y=0.92650000 Z=0.50340000
      -3: X=0.77120000 Y=0.07350000 Z=0.49660000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.45900000 Y=0.04100000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.54100000 Y=0.95900000 Z=0.75000000
      -4: X=0.04100000 Y=0.25000000 Z=0.45900000
      -4: X=0.95900000 Y=0.75000000 Z=0.54100000
      -4: X=0.25000000 Y=0.45900000 Z=0.04100000
      -4: X=0.75000000 Y=0.54100000 Z=0.95900000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.20030000 Y=0.20030000 Z=0.20030000
          MULT= 4          ISPLIT= 4
      -5: X=0.79970000 Y=0.79970000 Z=0.79970000
      -5: X=0.70030000 Y=0.70030000 Z=0.70030000
      -5: X=0.29970000 Y=0.29970000 Z=0.29970000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000