P   LATTICE,NONEQUIV.ATOMS   2  205 Pa-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.251807 11.251807 11.251807 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.39500000 Y=0.39500000 Z=0.39500000
          MULT= 8          ISPLIT= 4
      -1: X=0.60500000 Y=0.60500000 Z=0.60500000
      -1: X=0.10500000 Y=0.60500000 Z=0.89500000
      -1: X=0.89500000 Y=0.39500000 Z=0.10500000
      -1: X=0.89500000 Y=0.10500000 Z=0.60500000
      -1: X=0.10500000 Y=0.89500000 Z=0.39500000
      -1: X=0.60500000 Y=0.89500000 Z=0.10500000
      -1: X=0.39500000 Y=0.10500000 Z=0.89500000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Zn         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  30.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503