P   LATTICE,NONEQUIV.ATOMS   6   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.432843 10.374596 21.051549 90.000000 90.000000 98.700000                   
ATOM  -1: X=0.22340000 Y=0.04500000 Z=0.62260000
          MULT= 4          ISPLIT= 8
      -1: X=0.77660000 Y=0.95500000 Z=0.37740000
      -1: X=0.77660000 Y=0.95500000 Z=0.12260000
      -1: X=0.22340000 Y=0.04500000 Z=0.87740000
S          NPT=  781  R0=.000100000 RMT= 1.50        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=0.17440000 Y=0.12310000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.82560000 Y=0.87690000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.50        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=0.66180000 Y=0.29680000 Z=0.08030000
          MULT= 4          ISPLIT= 8
      -3: X=0.33820000 Y=0.70320000 Z=0.91970000
      -3: X=0.33820000 Y=0.70320000 Z=0.58030000
      -3: X=0.66180000 Y=0.29680000 Z=0.41970000
Cl         NPT=  781  R0=.000100000 RMT= 2.00        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=0.16350000 Y=0.50040000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.83650000 Y=0.49960000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.00        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=0.04300000 Y=0.02560000 Z=0.12910000
          MULT= 4          ISPLIT= 8
      -5: X=0.95700000 Y=0.97440000 Z=0.87090000
      -5: X=0.95700000 Y=0.97440000 Z=0.62910000
      -5: X=0.04300000 Y=0.02560000 Z=0.37090000
N          NPT=  781  R0=.000100000 RMT= 1.50        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=0.66240000 Y=0.88320000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.33760000 Y=0.11680000 Z=0.75000000
N          NPT=  781  R0=.000100000 RMT= 1.50        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000