P   LATTICE,NONEQUIV.ATOMS   5   84 P42/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.948954 16.948954 14.149513 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.42315000 Y=0.23467000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.57685000 Y=0.76533000 Z=0.00000000
      -2: X=0.76533000 Y=0.42315000 Z=0.50000000
      -2: X=0.23467000 Y=0.57685000 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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 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  -4: X=0.06120000 Y=0.29630000 Z=0.25370000
          MULT= 8          ISPLIT= 8
      -4: X=0.93880000 Y=0.70370000 Z=0.74630000
      -4: X=0.70370000 Y=0.06120000 Z=0.75370000
      -4: X=0.29630000 Y=0.93880000 Z=0.24630000
      -4: X=0.93880000 Y=0.70370000 Z=0.25370000
      -4: X=0.06120000 Y=0.29630000 Z=0.74630000
      -4: X=0.29630000 Y=0.93880000 Z=0.75370000
      -4: X=0.70370000 Y=0.06120000 Z=0.24630000
Cl         NPT=  781  R0=.000100000 RMT= 2.28        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.29320000 Y=0.56440000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.70680000 Y=0.43560000 Z=0.00000000
      -5: X=0.43560000 Y=0.29320000 Z=0.50000000
      -5: X=0.56440000 Y=0.70680000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.28        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000