CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.676634 22.101103 21.927437 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.61825000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.38175000 Z=0.75000000
Y          NPT=  781  R0=.000010000 RMT= 2.12        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.31452000 Z=0.10281000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.68548000 Z=0.89719000
      -2: X=0.00000000 Y=0.31452000 Z=0.39719000
      -2: X=0.00000000 Y=0.68548000 Z=0.60281000
Y          NPT=  781  R0=.000010000 RMT= 2.12        Z:  39.00000              
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=0.43450000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.56550000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.92        Z:   8.00000              
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=0.19040000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.80960000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.92        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.26970000 Z=0.58940000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.73030000 Z=0.41060000
      -5: X=0.00000000 Y=0.26970000 Z=0.91060000
      -5: X=0.00000000 Y=0.73030000 Z=0.08940000
O          NPT=  781  R0=.000100000 RMT= 1.92        Z:   8.00000              
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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.00000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000