B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.935099 19.935099 19.935099 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= 2.50000     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=0.32440000 Y=0.32440000 Z=0.32440000
          MULT= 4          ISPLIT= 4
      -2: X=0.32440000 Y=0.67560000 Z=0.67560000
      -2: X=0.67560000 Y=0.67560000 Z=0.32440000
      -2: X=0.67560000 Y=0.32440000 Z=0.67560000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.35622000 Y=0.35622000 Z=0.03925000
          MULT=12          ISPLIT= 8
      -3: X=0.35622000 Y=0.64378000 Z=0.96075000
      -3: X=0.03925000 Y=0.35622000 Z=0.35622000
      -3: X=0.64378000 Y=0.64378000 Z=0.03925000
      -3: X=0.35622000 Y=0.96075000 Z=0.64378000
      -3: X=0.64378000 Y=0.35622000 Z=0.96075000
      -3: X=0.96075000 Y=0.64378000 Z=0.35622000
      -3: X=0.64378000 Y=0.03925000 Z=0.64378000
      -3: X=0.03925000 Y=0.64378000 Z=0.64378000
      -3: X=0.64378000 Y=0.96075000 Z=0.35622000
      -3: X=0.96075000 Y=0.35622000 Z=0.64378000
      -3: X=0.35622000 Y=0.03925000 Z=0.35622000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.08996000 Y=0.08996000 Z=0.27681000
          MULT=12          ISPLIT= 8
      -4: X=0.08996000 Y=0.91004000 Z=0.72319000
      -4: X=0.27681000 Y=0.08996000 Z=0.08996000
      -4: X=0.91004000 Y=0.91004000 Z=0.27681000
      -4: X=0.08996000 Y=0.72319000 Z=0.91004000
      -4: X=0.91004000 Y=0.08996000 Z=0.72319000
      -4: X=0.72319000 Y=0.91004000 Z=0.08996000
      -4: X=0.91004000 Y=0.27681000 Z=0.91004000
      -4: X=0.27681000 Y=0.91004000 Z=0.91004000
      -4: X=0.91004000 Y=0.72319000 Z=0.08996000
      -4: X=0.72319000 Y=0.08996000 Z=0.91004000
      -4: X=0.08996000 Y=0.27681000 Z=0.08996000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000