CXZ LATTICE,NONEQUIV.ATOMS   9   15 B2/b    
MODE OF CALC=RELA unit=bohr
 29.802682 15.652602 13.128116 90.000000 90.000000 63.779000
ATOM  -1: X=0.62028000 Y=0.03459000 Z=0.40773000
          MULT= 4          ISPLIT=15
      -1: X=0.37972000 Y=0.96541000 Z=0.59227000
      -1: X=0.37972000 Y=0.46541000 Z=0.40773000
      -1: X=0.62028000 Y=0.53459000 Z=0.59227000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.67441000 Y=0.34389000 Z=0.08531000
          MULT= 4          ISPLIT=15
      -2: X=0.32559000 Y=0.65611000 Z=0.91469000
      -2: X=0.32559000 Y=0.15611000 Z=0.08531000
      -2: X=0.67441000 Y=0.84389000 Z=0.91469000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.87770000 Y=0.51500000 Z=0.27310000
          MULT= 4          ISPLIT=15
      -3: X=0.12230000 Y=0.48500000 Z=0.72690000
      -3: X=0.12230000 Y=0.98500000 Z=0.27310000
      -3: X=0.87770000 Y=0.01500000 Z=0.72690000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.88220000 Y=0.11900000 Z=0.40820000
          MULT= 4          ISPLIT=15
      -4: X=0.11780000 Y=0.88100000 Z=0.59180000
      -4: X=0.11780000 Y=0.38100000 Z=0.40820000
      -4: X=0.88220000 Y=0.61900000 Z=0.59180000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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  -5: X=0.95284000 Y=0.16376000 Z=0.04320000
          MULT= 4          ISPLIT=15
      -5: X=0.04716000 Y=0.83624000 Z=0.95680000
      -5: X=0.04716000 Y=0.33624000 Z=0.04320000
      -5: X=0.95284000 Y=0.66376000 Z=0.95680000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.69260000 Y=0.16330000 Z=0.15720000
          MULT= 4          ISPLIT=15
      -6: X=0.30740000 Y=0.83670000 Z=0.84280000
      -6: X=0.30740000 Y=0.33670000 Z=0.15720000
      -6: X=0.69260000 Y=0.66330000 Z=0.84280000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.76960000 Y=0.33030000 Z=0.04840000
          MULT= 4          ISPLIT=15
      -7: X=0.23040000 Y=0.66970000 Z=0.95160000
      -7: X=0.23040000 Y=0.16970000 Z=0.04840000
      -7: X=0.76960000 Y=0.83030000 Z=0.95160000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00000000 Y=0.25000000 Z=0.69440000
          MULT= 2          ISPLIT=15
      -8: X=0.00000000 Y=0.75000000 Z=0.30560000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.00000000 Y=0.25000000 Z=0.40540000
          MULT= 2          ISPLIT=15
      -9: X=0.00000000 Y=0.75000000 Z=0.59460000
Li         NPT=  781  R0=.000100000 RMT=   2.00000   Z:   3.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000