B   LATTICE,NONEQUIV.ATOMS   6   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.797776 36.422582 11.672838 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11040000 Y=0.14260000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.88960000 Y=0.85740000 Z=0.00000000
      -1: X=0.88960000 Y=0.14260000 Z=0.50000000
      -1: X=0.11040000 Y=0.85740000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23350000 Y=0.44010000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.76650000 Y=0.55990000 Z=0.00000000
      -2: X=0.76650000 Y=0.44010000 Z=0.50000000
      -2: X=0.23350000 Y=0.55990000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
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=0.30490000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.69510000 Z=0.75000000
      -3: X=0.00000000 Y=0.30490000 Z=0.75000000
      -3: X=0.00000000 Y=0.69510000 Z=0.25000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30320000 Y=0.29360000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.69680000 Y=0.70640000 Z=0.00000000
      -4: X=0.69680000 Y=0.29360000 Z=0.50000000
      -4: X=0.30320000 Y=0.70640000 Z=0.50000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.39810000 Y=0.07540000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.60190000 Y=0.92460000 Z=0.00000000
      -5: X=0.60190000 Y=0.07540000 Z=0.50000000
      -5: X=0.39810000 Y=0.92460000 Z=0.50000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.00000000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000