B   LATTICE,NONEQUIV.ATOMS   4  229 Im-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.723072 19.723072 19.723072 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Mg         NPT=  781  R0=.000100000 RMT= 2.28        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23300000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -2: X=0.76700000 Y=0.00000000 Z=0.00000000
      -2: X=0.00000000 Y=0.23300000 Z=0.00000000
      -2: X=0.00000000 Y=0.76700000 Z=0.00000000
      -2: X=0.00000000 Y=0.00000000 Z=0.23300000
      -2: X=0.00000000 Y=0.00000000 Z=0.76700000
Al         NPT=  781  R0=.000100000 RMT= 2.00        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  -3: X=0.19100000 Y=0.19100000 Z=0.19100000
          MULT= 8          ISPLIT= 4
      -3: X=0.80900000 Y=0.80900000 Z=0.80900000
      -3: X=0.80900000 Y=0.19100000 Z=0.19100000
      -3: X=0.19100000 Y=0.80900000 Z=0.80900000
      -3: X=0.80900000 Y=0.80900000 Z=0.19100000
      -3: X=0.19100000 Y=0.19100000 Z=0.80900000
      -3: X=0.19100000 Y=0.80900000 Z=0.19100000
      -3: X=0.80900000 Y=0.19100000 Z=0.80900000
Al         NPT=  781  R0=.000100000 RMT= 2.00        Z:  13.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -4: X=0.00000000 Y=0.34100000 Z=0.34100000
          MULT=12          ISPLIT= 8
      -4: X=0.00000000 Y=0.65900000 Z=0.65900000
      -4: X=0.65900000 Y=0.00000000 Z=0.34100000
      -4: X=0.34100000 Y=0.00000000 Z=0.65900000
      -4: X=0.34100000 Y=0.00000000 Z=0.34100000
      -4: X=0.65900000 Y=0.00000000 Z=0.65900000
      -4: X=0.00000000 Y=0.65900000 Z=0.34100000
      -4: X=0.00000000 Y=0.34100000 Z=0.65900000
      -4: X=0.34100000 Y=0.65900000 Z=0.00000000
      -4: X=0.65900000 Y=0.34100000 Z=0.00000000
      -4: X=0.34100000 Y=0.34100000 Z=0.00000000
      -4: X=0.65900000 Y=0.65900000 Z=0.00000000
Mg         NPT=  781  R0=.000100000 RMT= 2.28        Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068