P   LATTICE,NONEQUIV.ATOMS   6  221 Pm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.460546 18.460546 18.460546 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.34911000 Z=0.34911000
          MULT=12          ISPLIT= 8
      -2: X=0.00000000 Y=0.65089000 Z=0.65089000
      -2: X=0.65089000 Y=0.00000000 Z=0.34911000
      -2: X=0.34911000 Y=0.00000000 Z=0.65089000
      -2: X=0.34911000 Y=0.00000000 Z=0.34911000
      -2: X=0.65089000 Y=0.00000000 Z=0.65089000
      -2: X=0.00000000 Y=0.65089000 Z=0.34911000
      -2: X=0.00000000 Y=0.34911000 Z=0.65089000
      -2: X=0.34911000 Y=0.65089000 Z=0.00000000
      -2: X=0.65089000 Y=0.34911000 Z=0.00000000
      -2: X=0.34911000 Y=0.34911000 Z=0.00000000
      -2: X=0.65089000 Y=0.65089000 Z=0.00000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068
ATOM   3: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50000000 Y=0.26473000 Z=0.26473000
          MULT=12          ISPLIT= 8
      -4: X=0.50000000 Y=0.73527000 Z=0.73527000
      -4: X=0.73527000 Y=0.50000000 Z=0.26473000
      -4: X=0.26473000 Y=0.50000000 Z=0.73527000
      -4: X=0.26473000 Y=0.50000000 Z=0.26473000
      -4: X=0.73527000 Y=0.50000000 Z=0.73527000
      -4: X=0.50000000 Y=0.73527000 Z=0.26473000
      -4: X=0.50000000 Y=0.26473000 Z=0.73527000
      -4: X=0.26473000 Y=0.73527000 Z=0.50000000
      -4: X=0.73527000 Y=0.26473000 Z=0.50000000
      -4: X=0.26473000 Y=0.26473000 Z=0.50000000
      -4: X=0.73527000 Y=0.73527000 Z=0.50000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068
ATOM  -5: X=0.17402000 Y=0.17402000 Z=0.17402000
          MULT= 8          ISPLIT= 4
      -5: X=0.82598000 Y=0.82598000 Z=0.82598000
      -5: X=0.82598000 Y=0.17402000 Z=0.17402000
      -5: X=0.17402000 Y=0.82598000 Z=0.82598000
      -5: X=0.82598000 Y=0.82598000 Z=0.17402000
      -5: X=0.17402000 Y=0.17402000 Z=0.82598000
      -5: X=0.17402000 Y=0.82598000 Z=0.17402000
      -5: X=0.82598000 Y=0.17402000 Z=0.82598000
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  -6: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT=-2
      -6: X=0.00000000 Y=0.50000000 Z=0.00000000
      -6: X=0.00000000 Y=0.00000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000