B   LATTICE,NONEQUIV.ATOMS   3   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.086019 26.407033 13.118479 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15830000 Y=0.35420000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.84170000 Y=0.64580000 Z=0.00000000
      -1: X=0.84170000 Y=0.35420000 Z=0.50000000
      -1: X=0.15830000 Y=0.64580000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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= 8
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.18110000 Y=0.10270000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.81890000 Y=0.89730000 Z=0.00000000
      -3: X=0.81890000 Y=0.10270000 Z=0.50000000
      -3: X=0.18110000 Y=0.89730000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.40        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000