P   LATTICE,NONEQUIV.ATOMS   4  128 P4/mnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.992288 13.992288 20.214023 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.75000000
      -1: X=0.50000000 Y=0.00000000 Z=0.25000000
      -1: X=0.50000000 Y=0.00000000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.47        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21630000 Y=0.28360000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -3: X=0.78370000 Y=0.71640000 Z=0.00000000
      -3: X=0.71640000 Y=0.21630000 Z=0.00000000
      -3: X=0.28360000 Y=0.78370000 Z=0.00000000
      -3: X=0.28370000 Y=0.78360000 Z=0.50000000
      -3: X=0.71630000 Y=0.21640000 Z=0.50000000
      -3: X=0.21640000 Y=0.28370000 Z=0.50000000
      -3: X=0.78360000 Y=0.71630000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.47        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.24540000
          MULT= 4          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.75460000
      -4: X=0.50000000 Y=0.50000000 Z=0.74540000
      -4: X=0.50000000 Y=0.50000000 Z=0.25460000
Br         NPT=  781  R0=.000050000 RMT= 2.47        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000