CXY LATTICE,NONEQUIV.ATOMS   9   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.644466 27.704330 35.584110 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.26200000 Z=0.16200000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.73800000 Z=0.83800000
      -1: X=0.00000000 Y=0.26200000 Z=0.33800000
      -1: X=0.00000000 Y=0.73800000 Z=0.66200000
Nb         NPT=  781  R0=.000010000 RMT= 2.39        Z:  41.00000              
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=0.46600000 Z=0.12000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.53400000 Z=0.88000000
      -2: X=0.00000000 Y=0.46600000 Z=0.38000000
      -2: X=0.00000000 Y=0.53400000 Z=0.62000000
Nb         NPT=  781  R0=.000010000 RMT= 2.39        Z:  41.00000              
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=0.33200000 Z=0.52800000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.66800000 Z=0.47200000
      -3: X=0.00000000 Y=0.33200000 Z=0.97200000
      -3: X=0.00000000 Y=0.66800000 Z=0.02800000
Nb         NPT=  781  R0=.000010000 RMT= 2.39        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 2.39        Z:  41.00000              
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=0.05300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.94700000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.39        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.09800000 Z=0.11800000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.90200000 Z=0.88200000
      -6: X=0.00000000 Y=0.09800000 Z=0.38200000
      -6: X=0.00000000 Y=0.90200000 Z=0.61800000
As         NPT=  781  R0=.000050000 RMT= 2.39        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.15800000 Z=0.57700000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.84200000 Z=0.42300000
      -7: X=0.00000000 Y=0.15800000 Z=0.92300000
      -7: X=0.00000000 Y=0.84200000 Z=0.07700000
As         NPT=  781  R0=.000050000 RMT= 2.39        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.69200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.30800000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.39        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -9: X=0.00000000 Y=0.41200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.58800000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.39        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000