P   LATTICE,NONEQUIV.ATOMS   6  221 Pm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.407272 14.407272 14.407272 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24000000 Y=0.24000000 Z=0.24000000
          MULT= 8          ISPLIT= 4
      -2: X=0.76000000 Y=0.76000000 Z=0.76000000
      -2: X=0.76000000 Y=0.24000000 Z=0.24000000
      -2: X=0.24000000 Y=0.76000000 Z=0.76000000
      -2: X=0.76000000 Y=0.76000000 Z=0.24000000
      -2: X=0.24000000 Y=0.24000000 Z=0.76000000
      -2: X=0.24000000 Y=0.76000000 Z=0.24000000
      -2: X=0.76000000 Y=0.24000000 Z=0.76000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 3          ISPLIT=-2
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
      -3: X=0.50000000 Y=0.50000000 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT= 1.79        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT=-2
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 1.79        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.31000000 Y=0.50000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -5: X=0.69000000 Y=0.50000000 Z=0.50000000
      -5: X=0.50000000 Y=0.31000000 Z=0.50000000
      -5: X=0.50000000 Y=0.69000000 Z=0.50000000
      -5: X=0.50000000 Y=0.50000000 Z=0.31000000
      -5: X=0.50000000 Y=0.50000000 Z=0.69000000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT=12          ISPLIT= 8
      -6: X=0.75000000 Y=0.50000000 Z=0.00000000
      -6: X=0.50000000 Y=0.25000000 Z=0.00000000
      -6: X=0.50000000 Y=0.75000000 Z=0.00000000
      -6: X=0.00000000 Y=0.25000000 Z=0.50000000
      -6: X=0.00000000 Y=0.75000000 Z=0.50000000
      -6: X=0.75000000 Y=0.00000000 Z=0.50000000
      -6: X=0.25000000 Y=0.00000000 Z=0.50000000
      -6: X=0.00000000 Y=0.50000000 Z=0.25000000
      -6: X=0.00000000 Y=0.50000000 Z=0.75000000
      -6: X=0.50000000 Y=0.00000000 Z=0.25000000
      -6: X=0.50000000 Y=0.00000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000