P   LATTICE,NONEQUIV.ATOMS  12    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 14.959072 13.451071 18.778209 90.000000 90.000000106.410000                   
ATOM  -1: X=0.02920000 Y=0.59140000 Z=0.03850000
          MULT= 2          ISPLIT= 8
      -1: X=0.97080000 Y=0.40860000 Z=0.53850000
As         NPT=  781  R0=.000050000 RMT= 2.16        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=0.43690000 Y=0.26410000 Z=0.54490000
          MULT= 2          ISPLIT= 8
      -2: X=0.56310000 Y=0.73590000 Z=0.04490000
As         NPT=  781  R0=.000050000 RMT= 2.16        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=0.65260000 Y=0.10720000 Z=0.31510000
          MULT= 2          ISPLIT= 8
      -3: X=0.34740000 Y=0.89280000 Z=0.81510000
As         NPT=  781  R0=.000050000 RMT= 2.16        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  -4: X=0.12180000 Y=0.96880000 Z=0.33010000
          MULT= 2          ISPLIT= 8
      -4: X=0.87820000 Y=0.03120000 Z=0.83010000
As         NPT=  781  R0=.000050000 RMT= 2.16        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  -5: X=0.61100000 Y=0.05290000 Z=0.53210000
          MULT= 2          ISPLIT= 8
      -5: X=0.38900000 Y=0.94710000 Z=0.03210000
S          NPT=  781  R0=.000100000 RMT= 1.86        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  -6: X=0.18110000 Y=0.35490000 Z=0.04870000
          MULT= 2          ISPLIT= 8
      -6: X=0.81890000 Y=0.64510000 Z=0.54870000
S          NPT=  781  R0=.000100000 RMT= 1.86        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  -7: X=0.28080000 Y=0.72340000 Z=0.32330000
          MULT= 2          ISPLIT= 8
      -7: X=0.71920000 Y=0.27660000 Z=0.82330000
S          NPT=  781  R0=.000100000 RMT= 1.86        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  -8: X=0.93920000 Y=0.29920000 Z=0.32670000
          MULT= 2          ISPLIT= 8
      -8: X=0.06080000 Y=0.70080000 Z=0.82670000
S          NPT=  781  R0=.000100000 RMT= 1.86        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  -9: X=0.17140000 Y=0.05510000 Z=0.53610000
          MULT= 2          ISPLIT= 8
      -9: X=0.82860000 Y=0.94490000 Z=0.03610000
S          NPT=  781  R0=.000100000 RMT= 1.86        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 -10: X=0.46670000 Y=0.32410000 Z=0.31450000
          MULT= 2          ISPLIT= 8
     -10: X=0.53330000 Y=0.67590000 Z=0.81450000
S          NPT=  781  R0=.000100000 RMT= 1.86        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 -11: X=0.17040000 Y=0.24720000 Z=0.84690000
          MULT= 2          ISPLIT= 8
     -11: X=0.82960000 Y=0.75280000 Z=0.34690000
S          NPT=  781  R0=.000100000 RMT= 1.86        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 -12: X=0.25020000 Y=0.59210000 Z=0.50800000
          MULT= 2          ISPLIT= 8
     -12: X=0.74980000 Y=0.40790000 Z=0.00800000
S          NPT=  781  R0=.000100000 RMT= 1.86        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000