P   LATTICE,NONEQUIV.ATOMS   4  128 P4/mnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 17.427054 17.427054 18.147040 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14660000 Y=0.64660000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.85340000 Y=0.35340000 Z=0.75000000
      -1: X=0.35340000 Y=0.14660000 Z=0.25000000
      -1: X=0.64660000 Y=0.85340000 Z=0.75000000
      -1: X=0.35340000 Y=0.14660000 Z=0.75000000
      -1: X=0.64660000 Y=0.85340000 Z=0.25000000
      -1: X=0.85340000 Y=0.35340000 Z=0.25000000
      -1: X=0.14660000 Y=0.64660000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.28860000
          MULT= 4          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.71140000
      -3: X=0.50000000 Y=0.50000000 Z=0.78860000
      -3: X=0.50000000 Y=0.50000000 Z=0.21140000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.14100000 Y=0.31540000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.85900000 Y=0.68460000 Z=0.00000000
      -4: X=0.68460000 Y=0.14100000 Z=0.00000000
      -4: X=0.31540000 Y=0.85900000 Z=0.00000000
      -4: X=0.35900000 Y=0.81540000 Z=0.50000000
      -4: X=0.64100000 Y=0.18460000 Z=0.50000000
      -4: X=0.18460000 Y=0.35900000 Z=0.50000000
      -4: X=0.81540000 Y=0.64100000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000