CXZ LATTICE,NONEQUIV.ATOMS   5    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 17.352977 11.781687  7.337618 90.000000 90.000000 48.181000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.04704000
          MULT= 1          ISPLIT= 8
C          NPT=  781  R0=.000100000 RMT= 1.29        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.63542000 Y=0.24796000 Z=0.33189000
          MULT= 2          ISPLIT= 8
      -2: X=0.36458000 Y=0.75204000 Z=0.33189000
O          NPT=  781  R0=.000100000 RMT= 1.42        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  -3: X=0.89321000 Y=0.45586000 Z=0.26074000
          MULT= 2          ISPLIT= 8
      -3: X=0.10679000 Y=0.54414000 Z=0.26074000
O          NPT=  781  R0=.000100000 RMT= 1.42        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  -4: X=0.82330000 Y=0.82336000 Z=0.33424000
          MULT= 2          ISPLIT= 8
      -4: X=0.17670000 Y=0.17664000 Z=0.33424000
Li         NPT=  781  R0=.000100000 RMT= 1.63        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=0.63616000 Y=0.55584000 Z=0.26511000
          MULT= 2          ISPLIT= 8
      -5: X=0.36384000 Y=0.44416000 Z=0.26511000
Li         NPT=  781  R0=.000100000 RMT= 1.63        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000