H   LATTICE,NONEQUIV.ATOMS   5  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.021098 16.021098 12.443847 90.000000 90.000000120.000000                   
ATOM  -1: X=0.14390000 Y=0.85610000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -1: X=0.28780000 Y=0.14390000 Z=0.50000000
      -1: X=0.85610000 Y=0.14390000 Z=0.50000000
      -1: X=0.14390000 Y=0.28780000 Z=0.00000000
      -1: X=0.71220000 Y=0.85610000 Z=0.00000000
      -1: X=0.85610000 Y=0.71220000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.46480000 Y=0.53520000 Z=0.32160000
          MULT= 6          ISPLIT= 8
      -2: X=0.92960000 Y=0.46480000 Z=0.82160000
      -2: X=0.53520000 Y=0.46480000 Z=0.82160000
      -2: X=0.46480000 Y=0.92960000 Z=0.32160000
      -2: X=0.07040000 Y=0.53520000 Z=0.32160000
      -2: X=0.53520000 Y=0.07040000 Z=0.82160000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.71540000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.21540000
Mg         NPT=  781  R0=.000100000 RMT= 1.87        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=0.79780000 Y=0.20220000 Z=0.11580000
          MULT= 6          ISPLIT= 8
      -4: X=0.59560000 Y=0.79780000 Z=0.61580000
      -4: X=0.20220000 Y=0.79780000 Z=0.61580000
      -4: X=0.79780000 Y=0.59560000 Z=0.11580000
      -4: X=0.40440000 Y=0.20220000 Z=0.11580000
      -4: X=0.20220000 Y=0.40440000 Z=0.61580000
O          NPT=  781  R0=.000100000 RMT= 1.87        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=0.33333333 Y=0.66666667 Z=0.01820000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666666 Y=0.33333333 Z=0.51820000
O          NPT=  781  R0=.000100000 RMT= 1.87        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000