H   LATTICE,NONEQUIV.ATOMS   5  164 P-3m1   
MODE OF CALC=RELA unit=bohr
 20.730296 20.730296 11.413946 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.50000000
          MULT= 2          ISPLIT=15
      -2: X=0.66666667 Y=0.33333333 Z=0.50000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.10000000 Y=0.90000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -3: X=0.90000000 Y=0.10000000 Z=0.75000000
      -3: X=0.10000000 Y=0.20000000 Z=0.25000000
      -3: X=0.90000000 Y=0.80000000 Z=0.75000000
      -3: X=0.80000000 Y=0.90000000 Z=0.25000000
      -3: X=0.20000000 Y=0.10000000 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=0.43000000 Y=0.57000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -4: X=0.57000000 Y=0.43000000 Z=0.75000000
      -4: X=0.43000000 Y=0.86000000 Z=0.25000000
      -4: X=0.57000000 Y=0.14000000 Z=0.75000000
      -4: X=0.14000000 Y=0.57000000 Z=0.25000000
      -4: X=0.86000000 Y=0.43000000 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  -5: X=0.77000000 Y=0.23000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -5: X=0.23000000 Y=0.77000000 Z=0.75000000
      -5: X=0.77000000 Y=0.54000000 Z=0.25000000
      -5: X=0.23000000 Y=0.46000000 Z=0.75000000
      -5: X=0.46000000 Y=0.23000000 Z=0.25000000
      -5: X=0.54000000 Y=0.77000000 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