P   LATTICE,NONEQUIV.ATOMS   4  128 P4/mnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 15.936060 15.936060 17.332568 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.30520000
          MULT= 4          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.69480000
      -1: X=0.50000000 Y=0.50000000 Z=0.80520000
      -1: X=0.50000000 Y=0.50000000 Z=0.19480000
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  -2: X=0.11830000 Y=0.32580000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -2: X=0.88170000 Y=0.67420000 Z=0.00000000
      -2: X=0.67420000 Y=0.11830000 Z=0.00000000
      -2: X=0.32580000 Y=0.88170000 Z=0.00000000
      -2: X=0.38170000 Y=0.82580000 Z=0.50000000
      -2: X=0.61830000 Y=0.17420000 Z=0.50000000
      -2: X=0.17420000 Y=0.38170000 Z=0.50000000
      -2: X=0.82580000 Y=0.61830000 Z=0.50000000
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  -3: X=0.16470000 Y=0.66470000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.83530000 Y=0.33530000 Z=0.75000000
      -3: X=0.33530000 Y=0.16470000 Z=0.25000000
      -3: X=0.66470000 Y=0.83530000 Z=0.75000000
      -3: X=0.33530000 Y=0.16470000 Z=0.75000000
      -3: X=0.66470000 Y=0.83530000 Z=0.25000000
      -3: X=0.83530000 Y=0.33530000 Z=0.25000000
      -3: X=0.16470000 Y=0.66470000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 2.30        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000