P   LATTICE,NONEQUIV.ATOMS   4  201 Pn-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.065782 18.065782 18.065782 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11400000 Y=0.11400000 Z=0.11400000
          MULT= 8          ISPLIT= 4
      -1: X=0.88600000 Y=0.88600000 Z=0.88600000
      -1: X=0.38600000 Y=0.38600000 Z=0.11400000
      -1: X=0.61400000 Y=0.61400000 Z=0.88600000
      -1: X=0.11400000 Y=0.38600000 Z=0.38600000
      -1: X=0.88600000 Y=0.61400000 Z=0.61400000
      -1: X=0.38600000 Y=0.11400000 Z=0.38600000
      -1: X=0.61400000 Y=0.88600000 Z=0.61400000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.09400000 Y=0.75000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -2: X=0.90600000 Y=0.25000000 Z=0.75000000
      -2: X=0.40600000 Y=0.75000000 Z=0.25000000
      -2: X=0.59400000 Y=0.25000000 Z=0.75000000
      -2: X=0.25000000 Y=0.09400000 Z=0.75000000
      -2: X=0.75000000 Y=0.90600000 Z=0.25000000
      -2: X=0.25000000 Y=0.40600000 Z=0.75000000
      -2: X=0.75000000 Y=0.59400000 Z=0.25000000
      -2: X=0.75000000 Y=0.25000000 Z=0.09400000
      -2: X=0.25000000 Y=0.75000000 Z=0.90600000
      -2: X=0.75000000 Y=0.25000000 Z=0.40600000
      -2: X=0.25000000 Y=0.75000000 Z=0.59400000
Sb         NPT=  781  R0=.000010000 RMT= 1.96        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.61100000 Y=0.25000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -3: X=0.38900000 Y=0.75000000 Z=0.75000000
      -3: X=0.88900000 Y=0.25000000 Z=0.25000000
      -3: X=0.11100000 Y=0.75000000 Z=0.75000000
      -3: X=0.25000000 Y=0.61100000 Z=0.25000000
      -3: X=0.75000000 Y=0.38900000 Z=0.75000000
      -3: X=0.25000000 Y=0.88900000 Z=0.25000000
      -3: X=0.75000000 Y=0.11100000 Z=0.75000000
      -3: X=0.25000000 Y=0.25000000 Z=0.61100000
      -3: X=0.75000000 Y=0.75000000 Z=0.38900000
      -3: X=0.25000000 Y=0.25000000 Z=0.88900000
      -3: X=0.75000000 Y=0.75000000 Z=0.11100000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.03900000 Y=0.09700000 Z=0.75000000
          MULT=24          ISPLIT= 8
      -4: X=0.96100000 Y=0.90300000 Z=0.25000000
      -4: X=0.46100000 Y=0.40300000 Z=0.75000000
      -4: X=0.53900000 Y=0.59700000 Z=0.25000000
      -4: X=0.03900000 Y=0.40300000 Z=0.75000000
      -4: X=0.96100000 Y=0.59700000 Z=0.25000000
      -4: X=0.75000000 Y=0.03900000 Z=0.09700000
      -4: X=0.25000000 Y=0.96100000 Z=0.90300000
      -4: X=0.46100000 Y=0.09700000 Z=0.75000000
      -4: X=0.53900000 Y=0.90300000 Z=0.25000000
      -4: X=0.75000000 Y=0.46100000 Z=0.09700000
      -4: X=0.25000000 Y=0.53900000 Z=0.90300000
      -4: X=0.75000000 Y=0.46100000 Z=0.40300000
      -4: X=0.25000000 Y=0.53900000 Z=0.59700000
      -4: X=0.75000000 Y=0.03900000 Z=0.40300000
      -4: X=0.25000000 Y=0.96100000 Z=0.59700000
      -4: X=0.09700000 Y=0.75000000 Z=0.03900000
      -4: X=0.90300000 Y=0.25000000 Z=0.96100000
      -4: X=0.40300000 Y=0.75000000 Z=0.03900000
      -4: X=0.59700000 Y=0.25000000 Z=0.96100000
      -4: X=0.09700000 Y=0.75000000 Z=0.46100000
      -4: X=0.90300000 Y=0.25000000 Z=0.53900000
      -4: X=0.40300000 Y=0.75000000 Z=0.46100000
      -4: X=0.59700000 Y=0.25000000 Z=0.53900000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000