H   LATTICE,NONEQUIV.ATOMS   4  182 P6322                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.034446 10.034446 26.928597 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.06800000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.56800000
      -1: X=0.33333333 Y=0.66666667 Z=0.43200000
      -1: X=0.66666666 Y=0.33333333 Z=0.93200000
Tl         NPT=  781  R0=.000005000 RMT= 2.50        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=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 1.97        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 1.97        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33400000 Y=0.03700000 Z=0.18100000
          MULT=12          ISPLIT= 8
      -4: X=0.29700000 Y=0.33400000 Z=0.68100000
      -4: X=0.96300000 Y=0.66600000 Z=0.31900000
      -4: X=0.96300000 Y=0.29700000 Z=0.18100000
      -4: X=0.29700000 Y=0.96300000 Z=0.81900000
      -4: X=0.66600000 Y=0.96300000 Z=0.68100000
      -4: X=0.33400000 Y=0.29700000 Z=0.31900000
      -4: X=0.70300000 Y=0.66600000 Z=0.18100000
      -4: X=0.03700000 Y=0.33400000 Z=0.81900000
      -4: X=0.03700000 Y=0.70300000 Z=0.68100000
      -4: X=0.70300000 Y=0.03700000 Z=0.31900000
      -4: X=0.66600000 Y=0.70300000 Z=0.81900000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000