P   LATTICE,NONEQUIV.ATOMS   7    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.370147 10.408612 16.251645 90.000000 90.000000102.370000                   
ATOM  -1: X=0.39010000 Y=0.67650000 Z=0.16710000
          MULT= 2          ISPLIT= 8
      -1: X=0.60990000 Y=0.32350000 Z=0.66710000
S          NPT=  781  R0=.000100000 RMT= 1.45        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  -2: X=0.23030000 Y=0.15520000 Z=0.52640000
          MULT= 2          ISPLIT= 8
      -2: X=0.76970000 Y=0.84480000 Z=0.02640000
S          NPT=  781  R0=.000100000 RMT= 1.45        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  -3: X=0.21610000 Y=0.11480000 Z=0.77340000
          MULT= 2          ISPLIT= 8
      -3: X=0.78390000 Y=0.88520000 Z=0.27340000
S          NPT=  781  R0=.000100000 RMT= 1.45        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=0.47560000 Y=0.24360000 Z=0.51050000
          MULT= 2          ISPLIT= 8
      -4: X=0.52440000 Y=0.75640000 Z=0.01050000
N          NPT=  781  R0=.000100000 RMT= 1.45        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.45580000 Y=0.25490000 Z=0.80390000
          MULT= 2          ISPLIT= 8
      -5: X=0.54420000 Y=0.74510000 Z=0.30390000
N          NPT=  781  R0=.000100000 RMT= 1.45        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.10170000 Y=0.48440000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -6: X=0.89830000 Y=0.51560000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.09        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  -7: X=0.19750000 Y=0.10280000 Z=0.14590000
          MULT= 2          ISPLIT= 8
      -7: X=0.80250000 Y=0.89720000 Z=0.64590000
Cl         NPT=  781  R0=.000100000 RMT= 2.09        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000