P   LATTICE,NONEQUIV.ATOMS   5  118 P-4n2                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.783328 14.783328 17.107691 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Zn         NPT=  781  R0=.000050000 RMT= 2.39        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.50000000 Z=0.01906000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.98094000
      -2: X=0.50000000 Y=0.00000000 Z=0.51906000
      -2: X=0.00000000 Y=0.50000000 Z=0.48094000
Zn         NPT=  781  R0=.000050000 RMT= 2.39        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24461000 Y=0.25539000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.25539000 Y=0.75539000 Z=0.75000000
      -3: X=0.75539000 Y=0.74461000 Z=0.25000000
      -3: X=0.74461000 Y=0.24461000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.84        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.03249000 Y=0.23397000 Z=0.37401000
          MULT= 8          ISPLIT= 8
      -4: X=0.23397000 Y=0.96751000 Z=0.62599000
      -4: X=0.46751000 Y=0.73397000 Z=0.87401000
      -4: X=0.96751000 Y=0.76603000 Z=0.37401000
      -4: X=0.73397000 Y=0.53249000 Z=0.12599000
      -4: X=0.76603000 Y=0.03249000 Z=0.62599000
      -4: X=0.53249000 Y=0.26603000 Z=0.87401000
      -4: X=0.26603000 Y=0.46751000 Z=0.12599000
S          NPT=  781  R0=.000100000 RMT= 1.94        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=0.25296000 Y=0.02159000 Z=0.13849000
          MULT= 8          ISPLIT= 8
      -5: X=0.02159000 Y=0.74704000 Z=0.86151000
      -5: X=0.24704000 Y=0.52159000 Z=0.63849000
      -5: X=0.74704000 Y=0.97841000 Z=0.13849000
      -5: X=0.52159000 Y=0.75296000 Z=0.36151000
      -5: X=0.97841000 Y=0.25296000 Z=0.86151000
      -5: X=0.75296000 Y=0.47841000 Z=0.63849000
      -5: X=0.47841000 Y=0.24704000 Z=0.36151000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000