P   LATTICE,NONEQUIV.ATOMS   5   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.500230 18.500230 11.641658 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22970000 Y=0.06870000 Z=0.09300000
          MULT= 8          ISPLIT= 8
      -1: X=0.77030000 Y=0.93130000 Z=0.90700000
      -1: X=0.93130000 Y=0.72970000 Z=0.59300000
      -1: X=0.06870000 Y=0.27030000 Z=0.40700000
      -1: X=0.27030000 Y=0.43130000 Z=0.09300000
      -1: X=0.72970000 Y=0.56870000 Z=0.90700000
      -1: X=0.56870000 Y=0.77030000 Z=0.59300000
      -1: X=0.43130000 Y=0.22970000 Z=0.40700000
Li         NPT=  781  R0=.000100000 RMT= 1.65        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03490000 Y=0.75930000 Z=0.11280000
          MULT= 8          ISPLIT= 8
      -2: X=0.96510000 Y=0.24070000 Z=0.88720000
      -2: X=0.24070000 Y=0.53490000 Z=0.61280000
      -2: X=0.75930000 Y=0.46510000 Z=0.38720000
      -2: X=0.46510000 Y=0.74070000 Z=0.11280000
      -2: X=0.53490000 Y=0.25930000 Z=0.88720000
      -2: X=0.25930000 Y=0.96510000 Z=0.61280000
      -2: X=0.74070000 Y=0.03490000 Z=0.38720000
I          NPT=  781  R0=.000010000 RMT= 1.79        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33360000 Y=0.62050000 Z=0.05740000
          MULT= 8          ISPLIT= 8
      -3: X=0.66640000 Y=0.37950000 Z=0.94260000
      -3: X=0.37950000 Y=0.83360000 Z=0.55740000
      -3: X=0.62050000 Y=0.16640000 Z=0.44260000
      -3: X=0.16640000 Y=0.87950000 Z=0.05740000
      -3: X=0.83360000 Y=0.12050000 Z=0.94260000
      -3: X=0.12050000 Y=0.66640000 Z=0.55740000
      -3: X=0.87950000 Y=0.33360000 Z=0.44260000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.08230000 Y=0.20510000 Z=0.10530000
          MULT= 8          ISPLIT= 8
      -4: X=0.91770000 Y=0.79490000 Z=0.89470000
      -4: X=0.79490000 Y=0.58230000 Z=0.60530000
      -4: X=0.20510000 Y=0.41770000 Z=0.39470000
      -4: X=0.41770000 Y=0.29490000 Z=0.10530000
      -4: X=0.58230000 Y=0.70510000 Z=0.89470000
      -4: X=0.70510000 Y=0.91770000 Z=0.60530000
      -4: X=0.29490000 Y=0.08230000 Z=0.39470000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.05230000 Y=0.15700000 Z=0.66720000
          MULT= 8          ISPLIT= 8
      -5: X=0.94770000 Y=0.84300000 Z=0.33280000
      -5: X=0.84300000 Y=0.55230000 Z=0.16720000
      -5: X=0.15700000 Y=0.44770000 Z=0.83280000
      -5: X=0.44770000 Y=0.34300000 Z=0.66720000
      -5: X=0.55230000 Y=0.65700000 Z=0.33280000
      -5: X=0.65700000 Y=0.94770000 Z=0.16720000
      -5: X=0.34300000 Y=0.05230000 Z=0.83280000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000