H   LATTICE,NONEQUIV.ATOMS   5  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.761191  9.761191 26.543660 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.01640000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.98360000
      -1: X=0.33333333 Y=0.66666667 Z=0.51640000
      -1: X=0.66666667 Y=0.33333333 Z=0.48360000
Mg         NPT=  781  R0=.000100000 RMT= 1.90        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=0.30850000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.69150000
      -2: X=0.33333333 Y=0.66666667 Z=0.80850000
      -2: X=0.66666667 Y=0.33333333 Z=0.19150000
Mg         NPT=  781  R0=.000100000 RMT= 1.90        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=0.14260000
          MULT= 4          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.85740000
      -3: X=0.00000000 Y=0.00000000 Z=0.64260000
      -3: X=0.00000000 Y=0.00000000 Z=0.35740000
Ta         NPT=  781  R0=.000005000 RMT= 1.93        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.35100000 Y=0.31800000 Z=0.08600000
          MULT=12          ISPLIT= 8
      -4: X=0.64900000 Y=0.68200000 Z=0.91400000
      -4: X=0.68200000 Y=0.03300000 Z=0.08600000
      -4: X=0.31800000 Y=0.96700000 Z=0.91400000
      -4: X=0.68200000 Y=0.64900000 Z=0.58600000
      -4: X=0.31800000 Y=0.35100000 Z=0.41400000
      -4: X=0.96700000 Y=0.64900000 Z=0.08600000
      -4: X=0.03300000 Y=0.35100000 Z=0.91400000
      -4: X=0.35100000 Y=0.03300000 Z=0.58600000
      -4: X=0.64900000 Y=0.96700000 Z=0.41400000
      -4: X=0.96700000 Y=0.31800000 Z=0.58600000
      -4: X=0.03300000 Y=0.68200000 Z=0.41400000
O          NPT=  781  R0=.000100000 RMT= 1.66        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  -5: X=0.29000000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.71000000 Y=0.00000000 Z=0.75000000
      -5: X=0.00000000 Y=0.29000000 Z=0.25000000
      -5: X=0.00000000 Y=0.71000000 Z=0.75000000
      -5: X=0.71000000 Y=0.71000000 Z=0.25000000
      -5: X=0.29000000 Y=0.29000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.66        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000