H   LATTICE,NONEQUIV.ATOMS   5  186 P63mc   
MODE OF CALC=RELA unit=bohr
 17.798575 17.798575 13.232618 90.000000 90.000000120.000000
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.79390000
          MULT= 2          ISPLIT=15
      -1: X=0.66666666 Y=0.33333333 Z=0.29390000
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=0.19971000 Y=0.80029000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -2: X=0.39942000 Y=0.19971000 Z=0.75000000
      -2: X=0.80029000 Y=0.19971000 Z=0.75000000
      -2: X=0.19971000 Y=0.39942000 Z=0.25000000
      -2: X=0.60058000 Y=0.80029000 Z=0.25000000
      -2: X=0.80029000 Y=0.60058000 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  -3: X=0.33333333 Y=0.66666667 Z=0.13380000
          MULT= 2          ISPLIT=15
      -3: X=0.66666666 Y=0.33333333 Z=0.63380000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.53000000 Y=0.47000000 Z=0.02660000
          MULT= 6          ISPLIT=15
      -4: X=0.06000000 Y=0.53000000 Z=0.52660000
      -4: X=0.47000000 Y=0.53000000 Z=0.52660000
      -4: X=0.53000000 Y=0.06000000 Z=0.02660000
      -4: X=0.94000000 Y=0.47000000 Z=0.02660000
      -4: X=0.47000000 Y=0.94000000 Z=0.52660000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.86800000 Y=0.13200000 Z=0.35760000
          MULT= 6          ISPLIT=15
      -5: X=0.73600000 Y=0.86800000 Z=0.85760000
      -5: X=0.13200000 Y=0.86800000 Z=0.85760000
      -5: X=0.86800000 Y=0.73600000 Z=0.35760000
      -5: X=0.26400000 Y=0.13200000 Z=0.35760000
      -5: X=0.13200000 Y=0.26400000 Z=0.85760000
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