B   LATTICE,NONEQUIV.ATOMS   7  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.415501 12.415501 35.186701 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.75000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.25000000 Z=0.87500000
Zr         NPT=  781  R0=.000010000 RMT= 1.97        Z:  40.00000              
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=0.25000000 Z=0.37500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.62500000
Be         NPT=  781  R0=.000100000 RMT= 1.33        Z:   4.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.03400000 Z=0.07930000
          MULT= 8          ISPLIT= 8
      -3: X=0.00000000 Y=0.96600000 Z=0.92070000
      -3: X=0.21600000 Y=0.75000000 Z=0.32930000
      -3: X=0.28400000 Y=0.75000000 Z=0.17070000
      -3: X=0.00000000 Y=0.46600000 Z=0.07930000
      -3: X=0.00000000 Y=0.53400000 Z=0.92070000
      -3: X=0.28400000 Y=0.25000000 Z=0.82930000
      -3: X=0.21600000 Y=0.25000000 Z=0.67070000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
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=0.52600000 Z=0.20970000
          MULT= 8          ISPLIT= 8
      -4: X=0.00000000 Y=0.47400000 Z=0.79030000
      -4: X=0.72400000 Y=0.75000000 Z=0.45970000
      -4: X=0.77600000 Y=0.75000000 Z=0.04030000
      -4: X=0.00000000 Y=0.97400000 Z=0.20970000
      -4: X=0.00000000 Y=0.02600000 Z=0.79030000
      -4: X=0.77600000 Y=0.25000000 Z=0.95970000
      -4: X=0.72400000 Y=0.25000000 Z=0.54030000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
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=0.05680000 Z=0.42460000
          MULT= 8          ISPLIT= 8
      -5: X=0.00000000 Y=0.94320000 Z=0.57540000
      -5: X=0.19320000 Y=0.75000000 Z=0.67460000
      -5: X=0.30680000 Y=0.75000000 Z=0.82540000
      -5: X=0.00000000 Y=0.44320000 Z=0.42460000
      -5: X=0.00000000 Y=0.55680000 Z=0.57540000
      -5: X=0.30680000 Y=0.25000000 Z=0.17460000
      -5: X=0.19320000 Y=0.25000000 Z=0.32540000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.26970000 Y=0.00000000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -6: X=0.73030000 Y=0.00000000 Z=0.00000000
      -6: X=0.25000000 Y=0.01970000 Z=0.25000000
      -6: X=0.25000000 Y=0.48030000 Z=0.25000000
      -6: X=0.73030000 Y=0.50000000 Z=0.00000000
      -6: X=0.26970000 Y=0.50000000 Z=0.00000000
      -6: X=0.25000000 Y=0.98030000 Z=0.75000000
      -6: X=0.25000000 Y=0.51970000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.50        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.25000000 Z=0.14660000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.75000000 Z=0.85340000
      -7: X=0.00000000 Y=0.75000000 Z=0.39660000
      -7: X=0.50000000 Y=0.75000000 Z=0.10340000
Li         NPT=  781  R0=.000100000 RMT= 1.50        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000