P   LATTICE,NONEQUIV.ATOMS   6   55 Pbam                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.985074 22.948834  6.708528 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12300000 Y=0.14780000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.87700000 Y=0.85220000 Z=0.00000000
      -1: X=0.37700000 Y=0.64780000 Z=0.00000000
      -1: X=0.62300000 Y=0.35220000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.32        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.39500000 Y=0.42010000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.60500000 Y=0.57990000 Z=0.50000000
      -2: X=0.10500000 Y=0.92010000 Z=0.50000000
      -2: X=0.89500000 Y=0.07990000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT= 2.32        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.01560000 Y=0.25910000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -3: X=0.98440000 Y=0.74090000 Z=0.50000000
      -3: X=0.48440000 Y=0.75910000 Z=0.50000000
      -3: X=0.51560000 Y=0.24090000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.28        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=0.25990000 Y=0.07300000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -4: X=0.74010000 Y=0.92700000 Z=0.50000000
      -4: X=0.24010000 Y=0.57300000 Z=0.50000000
      -4: X=0.75990000 Y=0.42700000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.28        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=0.26300000 Y=0.32190000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.73700000 Y=0.67810000 Z=0.00000000
      -5: X=0.23700000 Y=0.82190000 Z=0.00000000
      -5: X=0.76300000 Y=0.17810000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.28        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  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.50000000 Z=0.00000000
N          NPT=  781  R0=.000100000 RMT= 1.99        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000