P   LATTICE,NONEQUIV.ATOMS   6  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 15.752757 15.752757 22.274202 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.25000000 Y=0.75000000 Z=0.00000000
      -1: X=0.25000000 Y=0.75000000 Z=0.50000000
      -1: X=0.75000000 Y=0.25000000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.15        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.01100000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.75000000 Z=0.98900000
      -2: X=0.25000000 Y=0.25000000 Z=0.51100000
      -2: X=0.75000000 Y=0.75000000 Z=0.48900000
As         NPT=  781  R0=.000050000 RMT= 2.15        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.48900000 Y=0.51100000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.51100000 Y=0.48900000 Z=0.75000000
      -3: X=0.98900000 Y=0.48900000 Z=0.75000000
      -3: X=0.01100000 Y=0.51100000 Z=0.25000000
      -3: X=0.01100000 Y=0.98900000 Z=0.25000000
      -3: X=0.98900000 Y=0.01100000 Z=0.75000000
      -3: X=0.51100000 Y=0.01100000 Z=0.75000000
      -3: X=0.48900000 Y=0.98900000 Z=0.25000000
As         NPT=  781  R0=.000050000 RMT= 2.15        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.03300000 Z=0.36400000
          MULT= 8          ISPLIT= 8
      -4: X=0.75000000 Y=0.96700000 Z=0.63600000
      -4: X=0.46700000 Y=0.25000000 Z=0.86400000
      -4: X=0.53300000 Y=0.75000000 Z=0.13600000
      -4: X=0.25000000 Y=0.46700000 Z=0.36400000
      -4: X=0.75000000 Y=0.53300000 Z=0.63600000
      -4: X=0.03300000 Y=0.25000000 Z=0.86400000
      -4: X=0.96700000 Y=0.75000000 Z=0.13600000
Zn         NPT=  781  R0=.000050000 RMT= 2.26        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.25000000 Y=0.53300000 Z=0.64700000
          MULT= 8          ISPLIT= 8
      -5: X=0.75000000 Y=0.46700000 Z=0.35300000
      -5: X=0.96700000 Y=0.25000000 Z=0.14700000
      -5: X=0.03300000 Y=0.75000000 Z=0.85300000
      -5: X=0.25000000 Y=0.96700000 Z=0.64700000
      -5: X=0.75000000 Y=0.03300000 Z=0.35300000
      -5: X=0.53300000 Y=0.25000000 Z=0.14700000
      -5: X=0.46700000 Y=0.75000000 Z=0.85300000
Zn         NPT=  781  R0=.000050000 RMT= 2.26        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.00000000 Z=0.10300000
          MULT= 8          ISPLIT= 8
      -6: X=0.75000000 Y=0.00000000 Z=0.89700000
      -6: X=0.50000000 Y=0.25000000 Z=0.60300000
      -6: X=0.50000000 Y=0.75000000 Z=0.39700000
      -6: X=0.25000000 Y=0.50000000 Z=0.10300000
      -6: X=0.75000000 Y=0.50000000 Z=0.89700000
      -6: X=0.00000000 Y=0.25000000 Z=0.60300000
      -6: X=0.00000000 Y=0.75000000 Z=0.39700000
Zn         NPT=  781  R0=.000050000 RMT= 2.26        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000