P   LATTICE,NONEQUIV.ATOMS   2  205 Pa-3                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.771164  8.771164  8.771164 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Mg         NPT=  781  R0=.000100000 RMT= 1.74        Z:  12.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.34470000 Y=0.34470000 Z=0.34470000
          MULT= 8          ISPLIT= 4
      -2: X=0.65530000 Y=0.65530000 Z=0.65530000
      -2: X=0.15530000 Y=0.65530000 Z=0.84470000
      -2: X=0.84470000 Y=0.34470000 Z=0.15530000
      -2: X=0.84470000 Y=0.15530000 Z=0.65530000
      -2: X=0.15530000 Y=0.84470000 Z=0.34470000
      -2: X=0.65530000 Y=0.84470000 Z=0.15530000
      -2: X=0.34470000 Y=0.15530000 Z=0.84470000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503