P   LATTICE,NONEQUIV.ATOMS   2  221 Pm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.839804  9.839804  9.839804 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.34900000 Z=0.34900000
          MULT=12          ISPLIT= 8
      -1: X=0.00000000 Y=0.65100000 Z=0.65100000
      -1: X=0.65100000 Y=0.00000000 Z=0.34900000
      -1: X=0.34900000 Y=0.00000000 Z=0.65100000
      -1: X=0.34900000 Y=0.00000000 Z=0.34900000
      -1: X=0.65100000 Y=0.00000000 Z=0.65100000
      -1: X=0.00000000 Y=0.65100000 Z=0.34900000
      -1: X=0.00000000 Y=0.34900000 Z=0.65100000
      -1: X=0.34900000 Y=0.65100000 Z=0.00000000
      -1: X=0.65100000 Y=0.34900000 Z=0.00000000
      -1: X=0.34900000 Y=0.34900000 Z=0.00000000
      -1: X=0.65100000 Y=0.65100000 Z=0.00000000
C          NPT=  781  R0=.000100000 RMT= 1.39        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=0.23700000 Y=0.23700000 Z=0.23700000
          MULT= 8          ISPLIT= 4
      -2: X=0.76300000 Y=0.76300000 Z=0.76300000
      -2: X=0.76300000 Y=0.23700000 Z=0.23700000
      -2: X=0.23700000 Y=0.76300000 Z=0.76300000
      -2: X=0.76300000 Y=0.76300000 Z=0.23700000
      -2: X=0.23700000 Y=0.23700000 Z=0.76300000
      -2: X=0.23700000 Y=0.76300000 Z=0.23700000
      -2: X=0.76300000 Y=0.23700000 Z=0.76300000
C          NPT=  781  R0=.000100000 RMT= 1.39        Z:   6.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503