H   LATTICE,NONEQUIV.ATOMS   5  185 P63cm                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.598976 16.598976 17.005645 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33210000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.33210000 Y=0.33210000 Z=0.75000000
      -1: X=0.00000000 Y=0.33210000 Z=0.25000000
      -1: X=0.66790000 Y=0.00000000 Z=0.75000000
      -1: X=0.66790000 Y=0.66790000 Z=0.25000000
      -1: X=0.00000000 Y=0.66790000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.68470000 Y=0.00000000 Z=0.41370000
          MULT= 6          ISPLIT= 8
      -2: X=0.68470000 Y=0.68470000 Z=0.91370000
      -2: X=0.00000000 Y=0.68470000 Z=0.41370000
      -2: X=0.31530000 Y=0.00000000 Z=0.91370000
      -2: X=0.31530000 Y=0.31530000 Z=0.41370000
      -2: X=0.00000000 Y=0.31530000 Z=0.91370000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.64820000 Y=0.00000000 Z=0.07690000
          MULT= 6          ISPLIT= 8
      -3: X=0.64820000 Y=0.64820000 Z=0.57690000
      -3: X=0.00000000 Y=0.64820000 Z=0.07690000
      -3: X=0.35180000 Y=0.00000000 Z=0.57690000
      -3: X=0.35180000 Y=0.35180000 Z=0.07690000
      -3: X=0.00000000 Y=0.35180000 Z=0.57690000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.26890000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666666 Y=0.33333333 Z=0.76890000
      -4: X=0.66666667 Y=0.33333333 Z=0.26890000
      -4: X=0.33333334 Y=0.66666667 Z=0.76890000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.23160000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.73160000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000