R   LATTICE,NONEQUIV.ATOMS   9  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  5.658596  5.658596113.170975 90.000000 90.000000120.000000                   
ATOM  -1: X=0.12439000 Y=0.12439000 Z=0.12439000
          MULT= 2          ISPLIT= 4
      -1: X=0.87561000 Y=0.87561000 Z=0.87561000
Mg         NPT=  781  R0=.000100000 RMT= 1.99        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=0.29227000 Y=0.29227000 Z=0.29227000
          MULT= 2          ISPLIT= 4
      -2: X=0.70773000 Y=0.70773000 Z=0.70773000
Mg         NPT=  781  R0=.000100000 RMT= 1.99        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  -3: X=0.41544000 Y=0.41544000 Z=0.41544000
          MULT= 2          ISPLIT= 4
      -3: X=0.58456000 Y=0.58456000 Z=0.58456000
Mg         NPT=  781  R0=.000100000 RMT= 1.99        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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Mg         NPT=  781  R0=.000100000 RMT= 1.99        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  -5: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Mg         NPT=  781  R0=.000100000 RMT= 1.99        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  -6: X=0.35386000 Y=0.35386000 Z=0.35386000
          MULT= 2          ISPLIT= 4
      -6: X=0.64614000 Y=0.64614000 Z=0.64614000
O          NPT=  781  R0=.000100000 RMT= 1.99        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.06158000 Y=0.06158000 Z=0.06158000
          MULT= 2          ISPLIT= 4
      -7: X=0.93842000 Y=0.93842000 Z=0.93842000
O          NPT=  781  R0=.000100000 RMT= 1.99        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.18711000 Y=0.18711000 Z=0.18711000
          MULT= 2          ISPLIT= 4
      -8: X=0.81289000 Y=0.81289000 Z=0.81289000
O          NPT=  781  R0=.000100000 RMT= 1.99        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.23077000 Y=0.23077000 Z=0.23077000
          MULT= 2          ISPLIT= 4
      -9: X=0.76923000 Y=0.76923000 Z=0.76923000
O          NPT=  781  R0=.000100000 RMT= 1.99        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000