CXZ LATTICE,NONEQUIV.ATOMS   8   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.734032 19.277852 11.315113 90.000000 90.000000 79.734000                   
ATOM  -1: X=0.81670000 Y=0.36420000 Z=0.37770000
          MULT= 4          ISPLIT= 8
      -1: X=0.18330000 Y=0.63580000 Z=0.62230000
      -1: X=0.18330000 Y=0.13580000 Z=0.37770000
      -1: X=0.81670000 Y=0.86420000 Z=0.62230000
Zr         NPT=  781  R0=.000010000 RMT= 2.02        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=0.70730000 Y=0.10750000 Z=0.37140000
          MULT= 4          ISPLIT= 8
      -2: X=0.29270000 Y=0.89250000 Z=0.62860000
      -2: X=0.29270000 Y=0.39250000 Z=0.37140000
      -2: X=0.70730000 Y=0.60750000 Z=0.62860000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.43410000 Y=0.10200000 Z=0.09700000
          MULT= 4          ISPLIT= 8
      -3: X=0.56590000 Y=0.89800000 Z=0.90300000
      -3: X=0.56590000 Y=0.39800000 Z=0.09700000
      -3: X=0.43410000 Y=0.60200000 Z=0.90300000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.93780000 Y=0.08330000 Z=0.14610000
          MULT= 4          ISPLIT= 8
      -4: X=0.06220000 Y=0.91670000 Z=0.85390000
      -4: X=0.06220000 Y=0.41670000 Z=0.14610000
      -4: X=0.93780000 Y=0.58330000 Z=0.85390000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.35330000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.64670000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.86570000 Y=0.50230000 Z=0.13610000
          MULT= 4          ISPLIT= 8
      -6: X=0.13430000 Y=0.49770000 Z=0.86390000
      -6: X=0.13430000 Y=0.99770000 Z=0.13610000
      -6: X=0.86570000 Y=0.00230000 Z=0.86390000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.62160000 Y=0.02160000 Z=0.12250000
          MULT= 4          ISPLIT= 8
      -7: X=0.37840000 Y=0.97840000 Z=0.87750000
      -7: X=0.37840000 Y=0.47840000 Z=0.12250000
      -7: X=0.62160000 Y=0.52160000 Z=0.87750000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.74950000 Y=0.25500000 Z=0.11330000
          MULT= 4          ISPLIT= 8
      -8: X=0.25050000 Y=0.74500000 Z=0.88670000
      -8: X=0.25050000 Y=0.24500000 Z=0.11330000
      -8: X=0.74950000 Y=0.75500000 Z=0.88670000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000