R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.425775 18.425775 17.592214 90.000000 90.000000120.000000                   
ATOM  -1: X=0.14310000 Y=0.31380000 Z=0.60940000
          MULT= 6          ISPLIT= 8
      -1: X=0.85690000 Y=0.68620000 Z=0.39060000
      -1: X=0.31380000 Y=0.60940000 Z=0.14310000
      -1: X=0.68620000 Y=0.39060000 Z=0.85690000
      -1: X=0.60940000 Y=0.14310000 Z=0.31380000
      -1: X=0.39060000 Y=0.85690000 Z=0.68620000
Y          NPT=  781  R0=.000010000 RMT= 2.15        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
W          NPT=  781  R0=.000005000 RMT= 2.00        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.30450000 Y=0.97650000 Z=0.08050000
          MULT= 6          ISPLIT= 8
      -3: X=0.69550000 Y=0.02350000 Z=0.91950000
      -3: X=0.97650000 Y=0.08050000 Z=0.30450000
      -3: X=0.02350000 Y=0.91950000 Z=0.69550000
      -3: X=0.08050000 Y=0.30450000 Z=0.97650000
      -3: X=0.91950000 Y=0.69550000 Z=0.02350000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.59230000 Y=0.43331000 Z=0.18030000
          MULT= 6          ISPLIT= 8
      -4: X=0.40770000 Y=0.56669000 Z=0.81970000
      -4: X=0.43331000 Y=0.18030000 Z=0.59230000
      -4: X=0.56669000 Y=0.81970000 Z=0.40770000
      -4: X=0.18030000 Y=0.59230000 Z=0.43331000
      -4: X=0.81970000 Y=0.40770000 Z=0.56669000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000