H   LATTICE,NONEQUIV.ATOMS   5  185 P63cm                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.295357 13.295357 13.541966 90.000000 90.000000120.000000                   
ATOM  -1: X=0.32890000 Y=0.00000000 Z=0.24560000
          MULT= 6          ISPLIT= 8
      -1: X=0.32890000 Y=0.32890000 Z=0.74560000
      -1: X=0.00000000 Y=0.32890000 Z=0.24560000
      -1: X=0.67110000 Y=0.00000000 Z=0.74560000
      -1: X=0.67110000 Y=0.67110000 Z=0.24560000
      -1: X=0.00000000 Y=0.67110000 Z=0.74560000
N          NPT=  781  R0=.000100000 RMT= 2.15        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.19070000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.69070000
Na         NPT=  781  R0=.000100000 RMT= 2.26        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.27300000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.77300000
      -3: X=0.66666667 Y=0.33333333 Z=0.27300000
      -3: X=0.33333334 Y=0.66666667 Z=0.77300000
Na         NPT=  781  R0=.000100000 RMT= 2.26        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  -4: X=0.70690000 Y=0.00000000 Z=0.41590000
          MULT= 6          ISPLIT= 8
      -4: X=0.70690000 Y=0.70690000 Z=0.91590000
      -4: X=0.00000000 Y=0.70690000 Z=0.41590000
      -4: X=0.29310000 Y=0.00000000 Z=0.91590000
      -4: X=0.29310000 Y=0.29310000 Z=0.41590000
      -4: X=0.00000000 Y=0.29310000 Z=0.91590000
Na         NPT=  781  R0=.000100000 RMT= 2.26        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  -5: X=0.62940000 Y=0.00000000 Z=0.07360000
          MULT= 6          ISPLIT= 8
      -5: X=0.62940000 Y=0.62940000 Z=0.57360000
      -5: X=0.00000000 Y=0.62940000 Z=0.07360000
      -5: X=0.37060000 Y=0.00000000 Z=0.57360000
      -5: X=0.37060000 Y=0.37060000 Z=0.07360000
      -5: X=0.00000000 Y=0.37060000 Z=0.57360000
Na         NPT=  781  R0=.000100000 RMT= 2.26        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000