CXY LATTICE,NONEQUIV.ATOMS   9   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.991317 41.847985 27.829997 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.14936000 Z=0.01877000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.85064000 Z=0.98123000
      -1: X=0.00000000 Y=0.14936000 Z=0.48123000
      -1: X=0.00000000 Y=0.85064000 Z=0.51877000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.49457000 Z=0.15472000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.50543000 Z=0.84528000
      -2: X=0.00000000 Y=0.49457000 Z=0.34528000
      -2: X=0.00000000 Y=0.50543000 Z=0.65472000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.29342000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.70658000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.36792000 Z=0.08579000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.63208000 Z=0.91421000
      -4: X=0.00000000 Y=0.36792000 Z=0.41421000
      -4: X=0.00000000 Y=0.63208000 Z=0.58579000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
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=0.27137000 Z=0.61987000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.72863000 Z=0.38013000
      -5: X=0.00000000 Y=0.27137000 Z=0.88013000
      -5: X=0.00000000 Y=0.72863000 Z=0.11987000
Sr         NPT=  781  R0=.000010000 RMT= 2.30        Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.10062000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.89938000 Z=0.75000000
Sr         NPT=  781  R0=.000010000 RMT= 2.30        Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.90247000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.09753000 Z=0.75000000
Sr         NPT=  781  R0=.000010000 RMT= 2.30        Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.00000000 Z=0.50000000
Sr         NPT=  781  R0=.000010000 RMT= 2.30        Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.00000000 Y=0.65550000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.34450000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 2.42        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000