P   LATTICE,NONEQUIV.ATOMS   6  200 Pm-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.067758 20.067758 20.067758 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.28100000 Y=0.50000000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -1: X=0.71900000 Y=0.50000000 Z=0.50000000
      -1: X=0.50000000 Y=0.28100000 Z=0.50000000
      -1: X=0.50000000 Y=0.71900000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.28100000
      -1: X=0.50000000 Y=0.50000000 Z=0.71900000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.15427000 Z=0.25247000
          MULT=12          ISPLIT= 8
      -2: X=0.00000000 Y=0.84573000 Z=0.74753000
      -2: X=0.00000000 Y=0.84573000 Z=0.25247000
      -2: X=0.00000000 Y=0.15427000 Z=0.74753000
      -2: X=0.25247000 Y=0.00000000 Z=0.15427000
      -2: X=0.74753000 Y=0.00000000 Z=0.84573000
      -2: X=0.74753000 Y=0.00000000 Z=0.15427000
      -2: X=0.25247000 Y=0.00000000 Z=0.84573000
      -2: X=0.15427000 Y=0.25247000 Z=0.00000000
      -2: X=0.84573000 Y=0.74753000 Z=0.00000000
      -2: X=0.15427000 Y=0.74753000 Z=0.00000000
      -2: X=0.84573000 Y=0.25247000 Z=0.00000000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.18860000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -3: X=0.81140000 Y=0.00000000 Z=0.50000000
      -3: X=0.50000000 Y=0.18860000 Z=0.00000000
      -3: X=0.50000000 Y=0.81140000 Z=0.00000000
      -3: X=0.00000000 Y=0.50000000 Z=0.18860000
      -3: X=0.00000000 Y=0.50000000 Z=0.81140000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM   4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Zn         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.28000000 Y=0.28000000 Z=0.28000000
          MULT= 8          ISPLIT= 4
      -5: X=0.72000000 Y=0.72000000 Z=0.72000000
      -5: X=0.72000000 Y=0.72000000 Z=0.28000000
      -5: X=0.28000000 Y=0.28000000 Z=0.72000000
      -5: X=0.28000000 Y=0.72000000 Z=0.72000000
      -5: X=0.72000000 Y=0.28000000 Z=0.28000000
      -5: X=0.72000000 Y=0.28000000 Z=0.72000000
      -5: X=0.28000000 Y=0.72000000 Z=0.28000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -6: X=0.33000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -6: X=0.67000000 Y=0.50000000 Z=0.00000000
      -6: X=0.00000000 Y=0.33000000 Z=0.50000000
      -6: X=0.00000000 Y=0.67000000 Z=0.50000000
      -6: X=0.50000000 Y=0.00000000 Z=0.33000000
      -6: X=0.50000000 Y=0.00000000 Z=0.67000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000