H   LATTICE,NONEQUIV.ATOMS   4  176 P63/m   
MODE OF CALC=RELA unit=bohr
 17.780811 17.780811 10.256678 90.000000 90.000000120.000000
ATOM  -1: X=0.40530000 Y=0.08960000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -1: X=0.59470000 Y=0.91040000 Z=0.75000000
      -1: X=0.31570000 Y=0.40530000 Z=0.75000000
      -1: X=0.68430000 Y=0.59470000 Z=0.25000000
      -1: X=0.91040000 Y=0.31570000 Z=0.25000000
      -1: X=0.08960000 Y=0.68430000 Z=0.75000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
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=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.66666667 Y=0.33333333 Z=0.75000000
W          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  74.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.19250000 Y=0.23990000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -3: X=0.80750000 Y=0.76010000 Z=0.75000000
      -3: X=0.95260000 Y=0.19250000 Z=0.75000000
      -3: X=0.04740000 Y=0.80750000 Z=0.25000000
      -3: X=0.76010000 Y=0.95260000 Z=0.25000000
      -3: X=0.23990000 Y=0.04740000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16300000 Y=0.52570000 Z=0.02310000
          MULT=12          ISPLIT=15
      -4: X=0.83700000 Y=0.47430000 Z=0.97690000
      -4: X=0.63730000 Y=0.16300000 Z=0.52310000
      -4: X=0.36270000 Y=0.83700000 Z=0.47690000
      -4: X=0.47430000 Y=0.63730000 Z=0.02310000
      -4: X=0.52570000 Y=0.36270000 Z=0.97690000
      -4: X=0.83700000 Y=0.47430000 Z=0.52310000
      -4: X=0.16300000 Y=0.52570000 Z=0.47690000
      -4: X=0.36270000 Y=0.83700000 Z=0.02310000
      -4: X=0.63730000 Y=0.16300000 Z=0.97690000
      -4: X=0.52570000 Y=0.36270000 Z=0.52310000
      -4: X=0.47430000 Y=0.63730000 Z=0.47690000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000