P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 25.353889  7.955747 26.853008 90.000000 90.000000103.096000                   
ATOM  -1: X=0.07500000 Y=0.25560000 Z=0.34720000
          MULT= 4          ISPLIT= 8
      -1: X=0.92500000 Y=0.74440000 Z=0.65280000
      -1: X=0.42500000 Y=0.24440000 Z=0.84720000
      -1: X=0.57500000 Y=0.75560000 Z=0.15280000
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=0.20560000 Y=0.20560000 Z=0.06390000
          MULT= 4          ISPLIT= 8
      -2: X=0.79440000 Y=0.79440000 Z=0.93610000
      -2: X=0.29440000 Y=0.29440000 Z=0.56390000
      -2: X=0.70560000 Y=0.70560000 Z=0.43610000
I          NPT=  781  R0=.000010000 RMT= 2.39        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=0.28060000 Y=0.01670000 Z=0.71110000
          MULT= 4          ISPLIT= 8
      -3: X=0.71940000 Y=0.98330000 Z=0.28890000
      -3: X=0.21940000 Y=0.48330000 Z=0.21110000
      -3: X=0.78060000 Y=0.51670000 Z=0.78890000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.69170000 Y=0.15000000 Z=0.58330000
          MULT= 4          ISPLIT= 8
      -4: X=0.30830000 Y=0.85000000 Z=0.41670000
      -4: X=0.80830000 Y=0.35000000 Z=0.08330000
      -4: X=0.19170000 Y=0.65000000 Z=0.91670000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.37220000 Y=0.13610000 Z=0.03060000
          MULT= 4          ISPLIT= 8
      -5: X=0.62780000 Y=0.86390000 Z=0.96940000
      -5: X=0.12780000 Y=0.36390000 Z=0.53060000
      -5: X=0.87220000 Y=0.63610000 Z=0.46940000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.03890000 Y=0.27500000 Z=0.09720000
          MULT= 4          ISPLIT= 8
      -6: X=0.96110000 Y=0.72500000 Z=0.90280000
      -6: X=0.46110000 Y=0.22500000 Z=0.59720000
      -6: X=0.53890000 Y=0.77500000 Z=0.40280000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000