H   LATTICE,NONEQUIV.ATOMS   6  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.698333 15.698333 13.805772 90.000000 90.000000120.000000                   
ATOM  -1: X=0.43810000 Y=0.14340000 Z=0.08630000
          MULT=12          ISPLIT= 8
      -1: X=0.56190000 Y=0.85660000 Z=0.91370000
      -1: X=0.29470000 Y=0.43810000 Z=0.58630000
      -1: X=0.70530000 Y=0.56190000 Z=0.41370000
      -1: X=0.85660000 Y=0.29470000 Z=0.08630000
      -1: X=0.14340000 Y=0.70530000 Z=0.91370000
      -1: X=0.56190000 Y=0.85660000 Z=0.58630000
      -1: X=0.43810000 Y=0.14340000 Z=0.41370000
      -1: X=0.70530000 Y=0.56190000 Z=0.08630000
      -1: X=0.29470000 Y=0.43810000 Z=0.91370000
      -1: X=0.14340000 Y=0.70530000 Z=0.58630000
      -1: X=0.85660000 Y=0.29470000 Z=0.41370000
O          NPT=  781  R0=.000100000 RMT= 1.39        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  -2: X=0.03720000 Y=0.19740000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.96280000 Y=0.80260000 Z=0.75000000
      -2: X=0.83980000 Y=0.03720000 Z=0.75000000
      -2: X=0.16020000 Y=0.96280000 Z=0.25000000
      -2: X=0.80260000 Y=0.83980000 Z=0.25000000
      -2: X=0.19740000 Y=0.16020000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.39        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  -3: X=0.12680000 Y=0.51890000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.87320000 Y=0.48110000 Z=0.75000000
      -3: X=0.60790000 Y=0.12680000 Z=0.75000000
      -3: X=0.39210000 Y=0.87320000 Z=0.25000000
      -3: X=0.48110000 Y=0.60790000 Z=0.25000000
      -3: X=0.51890000 Y=0.39210000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.39        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=0.36021000 Y=0.03356000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.63979000 Y=0.96644000 Z=0.75000000
      -4: X=0.32665000 Y=0.36021000 Z=0.75000000
      -4: X=0.67335000 Y=0.63979000 Z=0.25000000
      -4: X=0.96644000 Y=0.32665000 Z=0.25000000
      -4: X=0.03356000 Y=0.67335000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.32        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.04631000
          MULT= 4          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.95369000
      -5: X=0.66666666 Y=0.33333333 Z=0.54631000
      -5: X=0.33333334 Y=0.66666667 Z=0.45369000
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  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -6: X=0.00000000 Y=0.00000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.23        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000