P   LATTICE,NONEQUIV.ATOMS   5  138 P42/ncm                                    
MODE OF CALC=RELA unit=bohr                                                    
 20.590456 20.590456 19.672049 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.39        Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.09053000 Y=0.09053000 Z=0.41961000
          MULT= 8          ISPLIT= 8
      -2: X=0.90947000 Y=0.90947000 Z=0.58039000
      -2: X=0.40947000 Y=0.09053000 Z=0.91961000
      -2: X=0.59053000 Y=0.90947000 Z=0.08039000
      -2: X=0.40947000 Y=0.40947000 Z=0.41961000
      -2: X=0.59053000 Y=0.59053000 Z=0.58039000
      -2: X=0.09053000 Y=0.40947000 Z=0.91961000
      -2: X=0.90947000 Y=0.59053000 Z=0.08039000
Se         NPT=  781  R0=.000050000 RMT= 2.15        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.39531000 Y=0.60469000 Z=0.50000000
          MULT= 8          ISPLIT= 8
      -3: X=0.60469000 Y=0.39531000 Z=0.50000000
      -3: X=0.89531000 Y=0.39531000 Z=0.00000000
      -3: X=0.10469000 Y=0.60469000 Z=0.00000000
      -3: X=0.10469000 Y=0.89531000 Z=0.50000000
      -3: X=0.89531000 Y=0.10469000 Z=0.50000000
      -3: X=0.60469000 Y=0.10469000 Z=0.00000000
      -3: X=0.39531000 Y=0.89531000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.15        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.13915000 Y=0.13915000 Z=0.10802000
          MULT= 8          ISPLIT= 8
      -4: X=0.86085000 Y=0.86085000 Z=0.89198000
      -4: X=0.36085000 Y=0.13915000 Z=0.60802000
      -4: X=0.63915000 Y=0.86085000 Z=0.39198000
      -4: X=0.36085000 Y=0.36085000 Z=0.10802000
      -4: X=0.63915000 Y=0.63915000 Z=0.89198000
      -4: X=0.13915000 Y=0.36085000 Z=0.60802000
      -4: X=0.86085000 Y=0.63915000 Z=0.39198000
Cl         NPT=  781  R0=.000100000 RMT= 2.16        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.16508000 Y=0.56136000 Z=0.35013000
          MULT=16          ISPLIT= 8
      -5: X=0.83492000 Y=0.43864000 Z=0.64987000
      -5: X=0.93864000 Y=0.16508000 Z=0.85013000
      -5: X=0.06136000 Y=0.83492000 Z=0.14987000
      -5: X=0.33492000 Y=0.56136000 Z=0.85013000
      -5: X=0.66508000 Y=0.43864000 Z=0.14987000
      -5: X=0.33492000 Y=0.93864000 Z=0.35013000
      -5: X=0.66508000 Y=0.06136000 Z=0.64987000
      -5: X=0.93864000 Y=0.33492000 Z=0.35013000
      -5: X=0.06136000 Y=0.66508000 Z=0.64987000
      -5: X=0.56136000 Y=0.33492000 Z=0.85013000
      -5: X=0.43864000 Y=0.66508000 Z=0.14987000
      -5: X=0.16508000 Y=0.93864000 Z=0.85013000
      -5: X=0.83492000 Y=0.06136000 Z=0.14987000
      -5: X=0.56136000 Y=0.16508000 Z=0.35013000
      -5: X=0.43864000 Y=0.83492000 Z=0.64987000
Cl         NPT=  781  R0=.000100000 RMT= 2.16        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000