H   LATTICE,NONEQUIV.ATOMS   6  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 13.407607 13.407607 33.217606 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.08960000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.91040000
      -2: X=0.66666666 Y=0.33333333 Z=0.58960000
      -2: X=0.33333334 Y=0.66666667 Z=0.41040000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
Mg         NPT=  781  R0=.000100000 RMT= 2.32        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=0.33333333 Y=0.66666667 Z=0.65970000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.34030000
      -4: X=0.66666666 Y=0.33333333 Z=0.15970000
      -4: X=0.33333334 Y=0.66666667 Z=0.84030000
Mg         NPT=  781  R0=.000100000 RMT= 2.32        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  -5: X=0.50900000 Y=0.01800000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.49100000 Y=0.98200000 Z=0.75000000
      -5: X=0.49100000 Y=0.50900000 Z=0.75000000
      -5: X=0.50900000 Y=0.49100000 Z=0.25000000
      -5: X=0.01800000 Y=0.50900000 Z=0.75000000
      -5: X=0.98200000 Y=0.49100000 Z=0.25000000
Cl         NPT=  781  R0=.000100000 RMT= 2.32        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.16610000 Y=0.33220000 Z=0.58160000
          MULT=12          ISPLIT= 8
      -6: X=0.83390000 Y=0.66780000 Z=0.41840000
      -6: X=0.83390000 Y=0.16610000 Z=0.08160000
      -6: X=0.16610000 Y=0.83390000 Z=0.91840000
      -6: X=0.33220000 Y=0.16610000 Z=0.08160000
      -6: X=0.66780000 Y=0.83390000 Z=0.91840000
      -6: X=0.66780000 Y=0.83390000 Z=0.58160000
      -6: X=0.33220000 Y=0.16610000 Z=0.41840000
      -6: X=0.83390000 Y=0.66780000 Z=0.08160000
      -6: X=0.16610000 Y=0.33220000 Z=0.91840000
      -6: X=0.16610000 Y=0.83390000 Z=0.58160000
      -6: X=0.83390000 Y=0.16610000 Z=0.41840000
Cl         NPT=  781  R0=.000100000 RMT= 2.32        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000