P   LATTICE,NONEQUIV.ATOMS   2  221 Pm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.618706  9.618706  9.618706 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.34400000 Z=0.34400000
          MULT=12          ISPLIT= 8
      -1: X=0.00000000 Y=0.65600000 Z=0.65600000
      -1: X=0.65600000 Y=0.00000000 Z=0.34400000
      -1: X=0.34400000 Y=0.00000000 Z=0.65600000
      -1: X=0.34400000 Y=0.00000000 Z=0.34400000
      -1: X=0.65600000 Y=0.00000000 Z=0.65600000
      -1: X=0.00000000 Y=0.65600000 Z=0.34400000
      -1: X=0.00000000 Y=0.34400000 Z=0.65600000
      -1: X=0.34400000 Y=0.65600000 Z=0.00000000
      -1: X=0.65600000 Y=0.34400000 Z=0.00000000
      -1: X=0.34400000 Y=0.34400000 Z=0.00000000
      -1: X=0.65600000 Y=0.65600000 Z=0.00000000
C          NPT=  781  R0=.000100000 RMT= 1.31        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068
ATOM  -2: X=0.24300000 Y=0.24300000 Z=0.24300000
          MULT= 8          ISPLIT= 4
      -2: X=0.75700000 Y=0.75700000 Z=0.75700000
      -2: X=0.75700000 Y=0.24300000 Z=0.24300000
      -2: X=0.24300000 Y=0.75700000 Z=0.75700000
      -2: X=0.75700000 Y=0.75700000 Z=0.24300000
      -2: X=0.24300000 Y=0.24300000 Z=0.75700000
      -2: X=0.24300000 Y=0.75700000 Z=0.24300000
      -2: X=0.75700000 Y=0.24300000 Z=0.75700000
N          NPT=  781  R0=.000100000 RMT= 1.38        Z:   7.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503