P   LATTICE,NONEQUIV.ATOMS   6   55 Pbam                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.187275 23.030092  6.800746 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12550000 Y=0.14790000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.87450000 Y=0.85210000 Z=0.00000000
      -1: X=0.37450000 Y=0.64790000 Z=0.00000000
      -1: X=0.62550000 Y=0.35210000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.46        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=0.39480000 Y=0.41700000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.60520000 Y=0.58300000 Z=0.50000000
      -2: X=0.10520000 Y=0.91700000 Z=0.50000000
      -2: X=0.89480000 Y=0.08300000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT= 2.46        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=0.02060000 Y=0.25930000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -3: X=0.97940000 Y=0.74070000 Z=0.50000000
      -3: X=0.47940000 Y=0.75930000 Z=0.50000000
      -3: X=0.52060000 Y=0.24070000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.29        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=0.26000000 Y=0.07030000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -4: X=0.74000000 Y=0.92970000 Z=0.50000000
      -4: X=0.24000000 Y=0.57030000 Z=0.50000000
      -4: X=0.76000000 Y=0.42970000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.29        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=0.26740000 Y=0.31860000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.73260000 Y=0.68140000 Z=0.00000000
      -5: X=0.23260000 Y=0.81860000 Z=0.00000000
      -5: X=0.76740000 Y=0.18140000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.29        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
B          NPT=  781  R0=.000100000 RMT= 1.91        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000