H   LATTICE,NONEQUIV.ATOMS   4  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.680613 16.680613  5.829805 90.000000 90.000000120.000000                   
ATOM  -1: X=0.36680000 Y=0.02970000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.63320000 Y=0.97030000 Z=0.75000000
      -1: X=0.33710000 Y=0.36680000 Z=0.75000000
      -1: X=0.66290000 Y=0.63320000 Z=0.25000000
      -1: X=0.97030000 Y=0.33710000 Z=0.25000000
      -1: X=0.02970000 Y=0.66290000 Z=0.75000000
Mg         NPT=  781  R0=.000100000 RMT= 1.79        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=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.21        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15440000 Y=0.60390000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.84560000 Y=0.39610000 Z=0.75000000
      -3: X=0.55050000 Y=0.15440000 Z=0.75000000
      -3: X=0.44950000 Y=0.84560000 Z=0.25000000
      -3: X=0.39610000 Y=0.55050000 Z=0.25000000
      -3: X=0.60390000 Y=0.44950000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.40        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  -4: X=0.29820000 Y=0.20890000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.70180000 Y=0.79110000 Z=0.75000000
      -4: X=0.08930000 Y=0.29820000 Z=0.75000000
      -4: X=0.91070000 Y=0.70180000 Z=0.25000000
      -4: X=0.79110000 Y=0.08930000 Z=0.25000000
      -4: X=0.20890000 Y=0.91070000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.88        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000