B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.259419 21.259419 21.259419 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.31700000 Y=0.31700000 Z=0.31700000
          MULT= 4          ISPLIT= 4
      -2: X=0.31700000 Y=0.68300000 Z=0.68300000
      -2: X=0.68300000 Y=0.68300000 Z=0.31700000
      -2: X=0.68300000 Y=0.31700000 Z=0.68300000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.35600000 Y=0.35600000 Z=0.04200000
          MULT=12          ISPLIT= 8
      -3: X=0.35600000 Y=0.64400000 Z=0.95800000
      -3: X=0.04200000 Y=0.35600000 Z=0.35600000
      -3: X=0.64400000 Y=0.64400000 Z=0.04200000
      -3: X=0.35600000 Y=0.95800000 Z=0.64400000
      -3: X=0.64400000 Y=0.35600000 Z=0.95800000
      -3: X=0.95800000 Y=0.64400000 Z=0.35600000
      -3: X=0.64400000 Y=0.04200000 Z=0.64400000
      -3: X=0.04200000 Y=0.64400000 Z=0.64400000
      -3: X=0.64400000 Y=0.95800000 Z=0.35600000
      -3: X=0.95800000 Y=0.35600000 Z=0.64400000
      -3: X=0.35600000 Y=0.04200000 Z=0.35600000
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=0.08900000 Y=0.08900000 Z=0.27800000
          MULT=12          ISPLIT= 8
      -4: X=0.08900000 Y=0.91100000 Z=0.72200000
      -4: X=0.27800000 Y=0.08900000 Z=0.08900000
      -4: X=0.91100000 Y=0.91100000 Z=0.27800000
      -4: X=0.08900000 Y=0.72200000 Z=0.91100000
      -4: X=0.91100000 Y=0.08900000 Z=0.72200000
      -4: X=0.72200000 Y=0.91100000 Z=0.08900000
      -4: X=0.91100000 Y=0.27800000 Z=0.91100000
      -4: X=0.27800000 Y=0.91100000 Z=0.91100000
      -4: X=0.91100000 Y=0.72200000 Z=0.08900000
      -4: X=0.72200000 Y=0.08900000 Z=0.91100000
      -4: X=0.08900000 Y=0.27800000 Z=0.08900000
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