H   LATTICE,NONEQUIV.ATOMS   4  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.253869 15.253869 16.039995 90.000000 90.000000120.000000                   
ATOM  -1: X=0.34100000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.65900000 Y=0.00000000 Z=0.75000000
      -1: X=0.00000000 Y=0.34100000 Z=0.25000000
      -1: X=0.00000000 Y=0.65900000 Z=0.75000000
      -1: X=0.65900000 Y=0.65900000 Z=0.25000000
      -1: X=0.34100000 Y=0.34100000 Z=0.75000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
Mg         NPT=  781  R0=.000100000 RMT= 2.29        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=0.33333333 Y=0.66666667 Z=0.19300000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.80700000
      -3: X=0.33333333 Y=0.66666667 Z=0.69300000
      -3: X=0.66666667 Y=0.33333333 Z=0.30700000
Mg         NPT=  781  R0=.000100000 RMT= 2.29        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=0.36500000 Y=0.30900000 Z=0.08000000
          MULT=12          ISPLIT= 8
      -4: X=0.63500000 Y=0.69100000 Z=0.92000000
      -4: X=0.69100000 Y=0.05600000 Z=0.08000000
      -4: X=0.30900000 Y=0.94400000 Z=0.92000000
      -4: X=0.69100000 Y=0.63500000 Z=0.58000000
      -4: X=0.30900000 Y=0.36500000 Z=0.42000000
      -4: X=0.94400000 Y=0.63500000 Z=0.08000000
      -4: X=0.05600000 Y=0.36500000 Z=0.92000000
      -4: X=0.36500000 Y=0.05600000 Z=0.58000000
      -4: X=0.63500000 Y=0.94400000 Z=0.42000000
      -4: X=0.94400000 Y=0.30900000 Z=0.58000000
      -4: X=0.05600000 Y=0.69100000 Z=0.42000000
Mg         NPT=  781  R0=.000100000 RMT= 2.29        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000