CXY LATTICE,NONEQUIV.ATOMS   3   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.959192 18.940725  9.044229 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.07600000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.92400000 Z=0.75000000
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  -2: X=0.00000000 Y=0.75600000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.24400000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 2.17        Z:   3.00000              
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=0.41200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.58800000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 2.17        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000