B   LATTICE,NONEQUIV.ATOMS   6  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 18.428609 18.428609 36.312977 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32120000 Y=0.00000000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -1: X=0.67880000 Y=0.00000000 Z=0.00000000
      -1: X=0.25000000 Y=0.07120000 Z=0.25000000
      -1: X=0.25000000 Y=0.42880000 Z=0.25000000
      -1: X=0.67880000 Y=0.50000000 Z=0.00000000
      -1: X=0.32120000 Y=0.50000000 Z=0.00000000
      -1: X=0.25000000 Y=0.92880000 Z=0.75000000
      -1: X=0.25000000 Y=0.57120000 Z=0.75000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.60190000 Z=0.19860000
          MULT= 8          ISPLIT= 8
      -2: X=0.00000000 Y=0.39810000 Z=0.80140000
      -2: X=0.64810000 Y=0.75000000 Z=0.44860000
      -2: X=0.85190000 Y=0.75000000 Z=0.05140000
      -2: X=0.00000000 Y=0.89810000 Z=0.19860000
      -2: X=0.00000000 Y=0.10190000 Z=0.80140000
      -2: X=0.85190000 Y=0.25000000 Z=0.94860000
      -2: X=0.64810000 Y=0.25000000 Z=0.55140000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.07890000 Z=0.06910000
          MULT= 8          ISPLIT= 8
      -3: X=0.00000000 Y=0.92110000 Z=0.93090000
      -3: X=0.17110000 Y=0.75000000 Z=0.31910000
      -3: X=0.32890000 Y=0.75000000 Z=0.18090000
      -3: X=0.00000000 Y=0.42110000 Z=0.06910000
      -3: X=0.00000000 Y=0.57890000 Z=0.93090000
      -3: X=0.32890000 Y=0.25000000 Z=0.81910000
      -3: X=0.17110000 Y=0.25000000 Z=0.68090000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.02890000 Z=0.35780000
          MULT= 8          ISPLIT= 8
      -4: X=0.00000000 Y=0.97110000 Z=0.64220000
      -4: X=0.22110000 Y=0.75000000 Z=0.60780000
      -4: X=0.27890000 Y=0.75000000 Z=0.89220000
      -4: X=0.00000000 Y=0.47110000 Z=0.35780000
      -4: X=0.00000000 Y=0.52890000 Z=0.64220000
      -4: X=0.27890000 Y=0.25000000 Z=0.10780000
      -4: X=0.22110000 Y=0.25000000 Z=0.39220000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.23940000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.76060000
      -5: X=0.00000000 Y=0.75000000 Z=0.48940000
      -5: X=0.50000000 Y=0.75000000 Z=0.01060000
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  -6: X=0.22770000 Y=0.47770000 Z=0.87500000
          MULT= 8          ISPLIT= 8
      -6: X=0.77230000 Y=0.52230000 Z=0.12500000
      -6: X=0.77230000 Y=0.97770000 Z=0.12500000
      -6: X=0.72770000 Y=0.52230000 Z=0.37500000
      -6: X=0.77230000 Y=0.47770000 Z=0.87500000
      -6: X=0.22770000 Y=0.52230000 Z=0.12500000
      -6: X=0.77230000 Y=0.02230000 Z=0.87500000
      -6: X=0.22770000 Y=0.97770000 Z=0.12500000
S          NPT=  781  R0=.000100000 RMT= 2.24        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000