P   LATTICE,NONEQUIV.ATOMS   5   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 23.037651  8.042674 18.097907 90.000000 90.000000109.760000                   
ATOM  -1: X=0.23531000 Y=0.09805000 Z=0.30829000
          MULT= 4          ISPLIT= 8
      -1: X=0.76469000 Y=0.90195000 Z=0.69171000
      -1: X=0.26469000 Y=0.40195000 Z=0.80829000
      -1: X=0.73531000 Y=0.59805000 Z=0.19171000
As         NPT=  781  R0=.000050000 RMT= 2.11        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.01323000 Y=0.37395000 Z=0.17878000
          MULT= 4          ISPLIT= 8
      -2: X=0.98677000 Y=0.62605000 Z=0.82122000
      -2: X=0.48677000 Y=0.12605000 Z=0.67878000
      -2: X=0.51323000 Y=0.87395000 Z=0.32122000
As         NPT=  781  R0=.000050000 RMT= 2.11        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09849000 Y=0.60660000 Z=0.37872000
          MULT= 4          ISPLIT= 8
      -3: X=0.90151000 Y=0.39340000 Z=0.62128000
      -3: X=0.40151000 Y=0.89340000 Z=0.87872000
      -3: X=0.59849000 Y=0.10660000 Z=0.12128000
S          NPT=  781  R0=.000100000 RMT= 1.81        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.15262000 Y=0.16273000 Z=0.10277000
          MULT= 4          ISPLIT= 8
      -4: X=0.84738000 Y=0.83727000 Z=0.89723000
      -4: X=0.34738000 Y=0.33727000 Z=0.60277000
      -4: X=0.65262000 Y=0.66273000 Z=0.39723000
S          NPT=  781  R0=.000100000 RMT= 1.81        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12234000 Y=0.06338000 Z=0.70646000
          MULT= 4          ISPLIT= 8
      -5: X=0.87766000 Y=0.93662000 Z=0.29354000
      -5: X=0.37766000 Y=0.43662000 Z=0.20646000
      -5: X=0.62234000 Y=0.56338000 Z=0.79354000
S          NPT=  781  R0=.000100000 RMT= 1.81        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000