H   LATTICE,NONEQUIV.ATOMS   5  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.753255  9.753255 26.509078 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.01670000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.98330000
      -1: X=0.33333333 Y=0.66666667 Z=0.51670000
      -1: X=0.66666667 Y=0.33333333 Z=0.48330000
Mg         NPT=  781  R0=.000100000 RMT= 1.89        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=0.33333333 Y=0.66666667 Z=0.30740000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.69260000
      -2: X=0.33333333 Y=0.66666667 Z=0.80740000
      -2: X=0.66666667 Y=0.33333333 Z=0.19260000
Mg         NPT=  781  R0=.000100000 RMT= 1.89        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=0.00000000 Y=0.00000000 Z=0.14217000
          MULT= 4          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.85783000
      -3: X=0.00000000 Y=0.00000000 Z=0.64217000
      -3: X=0.00000000 Y=0.00000000 Z=0.35783000
Nb         NPT=  781  R0=.000010000 RMT= 1.86        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.28770000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.71230000 Y=0.00000000 Z=0.75000000
      -4: X=0.00000000 Y=0.28770000 Z=0.25000000
      -4: X=0.00000000 Y=0.71230000 Z=0.75000000
      -4: X=0.71230000 Y=0.71230000 Z=0.25000000
      -4: X=0.28770000 Y=0.28770000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.34440000 Y=0.31540000 Z=0.08450000
          MULT=12          ISPLIT= 8
      -5: X=0.65560000 Y=0.68460000 Z=0.91550000
      -5: X=0.68460000 Y=0.02900000 Z=0.08450000
      -5: X=0.31540000 Y=0.97100000 Z=0.91550000
      -5: X=0.68460000 Y=0.65560000 Z=0.58450000
      -5: X=0.31540000 Y=0.34440000 Z=0.41550000
      -5: X=0.97100000 Y=0.65560000 Z=0.08450000
      -5: X=0.02900000 Y=0.34440000 Z=0.91550000
      -5: X=0.34440000 Y=0.02900000 Z=0.58450000
      -5: X=0.65560000 Y=0.97100000 Z=0.41550000
      -5: X=0.97100000 Y=0.31540000 Z=0.58450000
      -5: X=0.02900000 Y=0.68460000 Z=0.41550000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000