P   LATTICE,NONEQUIV.ATOMS   4  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.118479 13.118479 13.118479 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.64042000 Y=0.64042000 Z=0.64042000
          MULT= 4          ISPLIT= 4
      -1: X=0.85958000 Y=0.35958000 Z=0.14042000
      -1: X=0.14042000 Y=0.85958000 Z=0.35958000
      -1: X=0.35958000 Y=0.14042000 Z=0.85958000
Mg         NPT=  781  R0=.000100000 RMT= 1.99        Z:  12.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.35860000 Y=0.35860000 Z=0.35860000
          MULT= 4          ISPLIT= 4
      -2: X=0.14140000 Y=0.64140000 Z=0.85860000
      -2: X=0.85860000 Y=0.14140000 Z=0.64140000
      -2: X=0.64140000 Y=0.85860000 Z=0.14140000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.10290000 Y=0.10290000 Z=0.10290000
          MULT= 4          ISPLIT= 4
      -3: X=0.39710000 Y=0.89710000 Z=0.60290000
      -3: X=0.60290000 Y=0.39710000 Z=0.89710000
      -3: X=0.89710000 Y=0.60290000 Z=0.39710000
B          NPT=  781  R0=.000100000 RMT= 1.19        Z:   5.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.02940000 Y=0.59680000 Z=0.25110000
          MULT=12          ISPLIT= 8
      -4: X=0.47060000 Y=0.40320000 Z=0.75110000
      -4: X=0.52940000 Y=0.90320000 Z=0.74890000
      -4: X=0.25110000 Y=0.02940000 Z=0.59680000
      -4: X=0.97060000 Y=0.09680000 Z=0.24890000
      -4: X=0.24890000 Y=0.97060000 Z=0.09680000
      -4: X=0.75110000 Y=0.47060000 Z=0.40320000
      -4: X=0.74890000 Y=0.52940000 Z=0.90320000
      -4: X=0.59680000 Y=0.25110000 Z=0.02940000
      -4: X=0.90320000 Y=0.74890000 Z=0.52940000
      -4: X=0.09680000 Y=0.24890000 Z=0.97060000
      -4: X=0.40320000 Y=0.75110000 Z=0.47060000
O          NPT=  781  R0=.000100000 RMT= 1.38        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000