H   LATTICE,NONEQUIV.ATOMS   5  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.136706 15.136706  9.127377 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.40        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  -2: X=0.33333333 Y=0.66666667 Z=0.46000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.54000000
S          NPT=  781  R0=.000100000 RMT= 1.40        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  -3: X=0.90900000 Y=0.09100000 Z=0.19800000
          MULT= 6          ISPLIT= 8
      -3: X=0.09100000 Y=0.90900000 Z=0.80200000
      -3: X=0.90900000 Y=0.81800000 Z=0.19800000
      -3: X=0.09100000 Y=0.18200000 Z=0.80200000
      -3: X=0.18200000 Y=0.09100000 Z=0.19800000
      -3: X=0.81800000 Y=0.90900000 Z=0.80200000
F          NPT=  781  R0=.000100000 RMT= 1.55        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.58000000 Y=0.42000000 Z=0.33000000
          MULT= 6          ISPLIT= 8
      -4: X=0.42000000 Y=0.58000000 Z=0.67000000
      -4: X=0.58000000 Y=0.16000000 Z=0.33000000
      -4: X=0.42000000 Y=0.84000000 Z=0.67000000
      -4: X=0.84000000 Y=0.42000000 Z=0.33000000
      -4: X=0.16000000 Y=0.58000000 Z=0.67000000
F          NPT=  781  R0=.000100000 RMT= 1.55        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.24500000 Y=0.75500000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.75500000 Y=0.24500000 Z=0.75000000
      -5: X=0.24500000 Y=0.49000000 Z=0.25000000
      -5: X=0.75500000 Y=0.51000000 Z=0.75000000
      -5: X=0.51000000 Y=0.75500000 Z=0.25000000
      -5: X=0.49000000 Y=0.24500000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.55        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000