CXY LATTICE,NONEQUIV.ATOMS   8   63 Cmcm    
MODE OF CALC=RELA unit=bohr
 18.121718 30.511518 15.393520 90.000000 90.000000 90.000000
ATOM  -1: X=0.20857000 Y=0.39625000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -1: X=0.79143000 Y=0.60375000 Z=0.75000000
      -1: X=0.79143000 Y=0.39625000 Z=0.25000000
      -1: X=0.20857000 Y=0.60375000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  82.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24425000 Y=0.13187000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -2: X=0.75575000 Y=0.86813000 Z=0.75000000
      -2: X=0.75575000 Y=0.13187000 Z=0.25000000
      -2: X=0.24425000 Y=0.86813000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  82.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.23217000 Z=0.51023000
          MULT= 4          ISPLIT=15
      -3: X=0.00000000 Y=0.76783000 Z=0.48977000
      -3: X=0.00000000 Y=0.23217000 Z=0.98977000
      -3: X=0.00000000 Y=0.76783000 Z=0.01023000
Pb         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  82.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
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  -5: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -5: X=0.00000000 Y=0.50000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.34630000 Y=0.36800000 Z=0.02940000
          MULT= 8          ISPLIT=15
      -6: X=0.65370000 Y=0.63200000 Z=0.97060000
      -6: X=0.34630000 Y=0.36800000 Z=0.47060000
      -6: X=0.65370000 Y=0.63200000 Z=0.52940000
      -6: X=0.65370000 Y=0.36800000 Z=0.02940000
      -6: X=0.34630000 Y=0.63200000 Z=0.97060000
      -6: X=0.65370000 Y=0.36800000 Z=0.47060000
      -6: X=0.34630000 Y=0.63200000 Z=0.52940000
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=0.15520000 Y=0.00820000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -7: X=0.84480000 Y=0.99180000 Z=0.75000000
      -7: X=0.84480000 Y=0.00820000 Z=0.25000000
      -7: X=0.15520000 Y=0.99180000 Z=0.75000000
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=0.19320000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -8: X=0.00000000 Y=0.80680000 Z=0.75000000
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