H   LATTICE,NONEQUIV.ATOMS   7  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.606698 11.606698 27.202608 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.65790000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.15790000
Sb         NPT=  781  R0=.000010000 RMT= 1.76        Z:  51.00000              
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=0.85260000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.35260000
Sb         NPT=  781  R0=.000010000 RMT= 1.76        Z:  51.00000              
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=0.25300000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.75300000
K          NPT=  781  R0=.000050000 RMT= 2.33        Z:  19.00000              
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=0.09300000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666666 Y=0.33333333 Z=0.59300000
K          NPT=  781  R0=.000050000 RMT= 2.33        Z:  19.00000              
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=0.41400000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666666 Y=0.33333333 Z=0.91400000
K          NPT=  781  R0=.000050000 RMT= 2.33        Z:  19.00000              
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=0.00900000
          MULT= 2          ISPLIT= 4
      -6: X=0.00000000 Y=0.00000000 Z=0.50900000
K          NPT=  781  R0=.000050000 RMT= 2.33        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.82220000 Y=0.17780000 Z=0.12070000
          MULT= 6          ISPLIT= 8
      -7: X=0.64440000 Y=0.82220000 Z=0.62070000
      -7: X=0.17780000 Y=0.82220000 Z=0.62070000
      -7: X=0.82220000 Y=0.64440000 Z=0.12070000
      -7: X=0.35560000 Y=0.17780000 Z=0.12070000
      -7: X=0.17780000 Y=0.35560000 Z=0.62070000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000