R   LATTICE,NONEQUIV.ATOMS   8  146 R3                                         
MODE OF CALC=RELA unit=bohr                                                    
 11.948739 11.948739 58.694893 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
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=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 1          ISPLIT= 4
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  -3: X=0.41700000 Y=0.41700000 Z=0.41700000
          MULT= 1          ISPLIT= 4
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=0.83300000 Y=0.83300000 Z=0.83300000
          MULT= 1          ISPLIT= 4
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  -5: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -5: X=0.50000000 Y=0.50000000 Z=0.00000000
      -5: X=0.50000000 Y=0.00000000 Z=0.50000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.41700000 Y=0.91600000 Z=0.91600000
          MULT= 3          ISPLIT= 8
      -6: X=0.91600000 Y=0.91600000 Z=0.41700000
      -6: X=0.91600000 Y=0.41700000 Z=0.91600000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.33400000 Y=0.33400000 Z=0.83300000
          MULT= 3          ISPLIT= 8
      -7: X=0.33400000 Y=0.83300000 Z=0.33400000
      -7: X=0.83300000 Y=0.33400000 Z=0.33400000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.25000000 Y=0.75000000 Z=0.75000000
          MULT= 3          ISPLIT= 8
      -8: X=0.75000000 Y=0.75000000 Z=0.25000000
      -8: X=0.75000000 Y=0.25000000 Z=0.75000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000