CXY LATTICE,NONEQUIV.ATOMS   7   65 Cmmm                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.259658 46.790186  9.221864 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.09980000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.90020000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.28        Z:  20.00000              
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=0.19820000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.80180000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.28        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.40004000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.59996000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.28        Z:  20.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Ca         NPT=  781  R0=.000050000 RMT= 2.28        Z:  20.00000              
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=0.29317000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.70683000 Z=0.50000000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.10270000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.89730000 Z=0.00000000
N          NPT=  781  R0=.000100000 RMT= 2.17        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000