B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 22.907260 22.907260 37.454372 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14430000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.85570000 Y=0.00000000 Z=0.75000000
      -1: X=0.25000000 Y=0.89430000 Z=0.50000000
      -1: X=0.25000000 Y=0.60570000 Z=0.00000000
      -1: X=0.85570000 Y=0.50000000 Z=0.25000000
      -1: X=0.14430000 Y=0.50000000 Z=0.75000000
      -1: X=0.25000000 Y=0.10570000 Z=0.00000000
      -1: X=0.25000000 Y=0.39430000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.11840000 Y=0.36840000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.88160000 Y=0.63160000 Z=0.87500000
      -2: X=0.88160000 Y=0.86840000 Z=0.37500000
      -2: X=0.61840000 Y=0.63160000 Z=0.12500000
      -2: X=0.88160000 Y=0.36840000 Z=0.62500000
      -2: X=0.11840000 Y=0.63160000 Z=0.37500000
      -2: X=0.88160000 Y=0.13160000 Z=0.12500000
      -2: X=0.11840000 Y=0.86840000 Z=0.87500000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.06200000 Y=0.14580000 Z=0.42740000
          MULT=16          ISPLIT= 8
      -3: X=0.93800000 Y=0.85420000 Z=0.57260000
      -3: X=0.10420000 Y=0.81200000 Z=0.67740000
      -3: X=0.39580000 Y=0.68800000 Z=0.82260000
      -3: X=0.93800000 Y=0.14580000 Z=0.92740000
      -3: X=0.06200000 Y=0.85420000 Z=0.07260000
      -3: X=0.93800000 Y=0.35420000 Z=0.42740000
      -3: X=0.06200000 Y=0.64580000 Z=0.57260000
      -3: X=0.10420000 Y=0.68800000 Z=0.17740000
      -3: X=0.39580000 Y=0.81200000 Z=0.32260000
      -3: X=0.39580000 Y=0.18800000 Z=0.17740000
      -3: X=0.10420000 Y=0.31200000 Z=0.32260000
      -3: X=0.06200000 Y=0.35420000 Z=0.92740000
      -3: X=0.93800000 Y=0.64580000 Z=0.07260000
      -3: X=0.39580000 Y=0.31200000 Z=0.67740000
      -3: X=0.10420000 Y=0.18800000 Z=0.82260000
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