P   LATTICE,NONEQUIV.ATOMS   3   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 24.053379 16.703289  7.916063 90.000000 90.000000129.985000                   
ATOM  -1: X=0.08190000 Y=0.35770000 Z=0.01060000
          MULT= 4          ISPLIT= 8
      -1: X=0.91810000 Y=0.64230000 Z=0.98940000
      -1: X=0.41810000 Y=0.14230000 Z=0.51060000
      -1: X=0.58190000 Y=0.85770000 Z=0.48940000
I          NPT=  781  R0=.000010000 RMT= 1.94        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=0.18140000 Y=0.08440000 Z=0.53890000
          MULT= 4          ISPLIT= 8
      -2: X=0.81860000 Y=0.91560000 Z=0.46110000
      -2: X=0.31860000 Y=0.41560000 Z=0.03890000
      -2: X=0.68140000 Y=0.58440000 Z=0.96110000
Se         NPT=  781  R0=.000050000 RMT= 2.03        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36080000 Y=0.21870000 Z=0.13780000
          MULT= 4          ISPLIT= 8
      -3: X=0.63920000 Y=0.78130000 Z=0.86220000
      -3: X=0.13920000 Y=0.28130000 Z=0.63780000
      -3: X=0.86080000 Y=0.71870000 Z=0.36220000
As         NPT=  781  R0=.000050000 RMT= 1.85        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000