P   LATTICE,NONEQUIV.ATOMS   4  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
 14.482861 14.482861 13.222414 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 4          ISPLIT=-2
      -1: X=0.00000000 Y=0.50000000 Z=0.75000000
      -1: X=0.50000000 Y=0.00000000 Z=0.75000000
      -1: X=0.50000000 Y=0.00000000 Z=0.25000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     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  -2: X=0.15675000 Y=0.15675000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.84325000 Y=0.84325000 Z=0.00000000
      -2: X=0.34325000 Y=0.65675000 Z=0.50000000
      -2: X=0.65675000 Y=0.34325000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.30058000 Y=0.69942000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.69942000 Y=0.30058000 Z=0.00000000
      -3: X=0.80058000 Y=0.80058000 Z=0.50000000
      -3: X=0.19942000 Y=0.19942000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     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  -4: X=0.37888000 Y=0.37888000 Z=0.21319000
          MULT= 8          ISPLIT= 8
      -4: X=0.62112000 Y=0.62112000 Z=0.78681000
      -4: X=0.12112000 Y=0.87888000 Z=0.71319000
      -4: X=0.87888000 Y=0.12112000 Z=0.28681000
      -4: X=0.62112000 Y=0.62112000 Z=0.21319000
      -4: X=0.37888000 Y=0.37888000 Z=0.78681000
      -4: X=0.87888000 Y=0.12112000 Z=0.71319000
      -4: X=0.12112000 Y=0.87888000 Z=0.28681000
Al         NPT=  781  R0=.000100000 RMT= 2.47        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000