B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 22.217510 22.217510 36.311088 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14180000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.85820000 Y=0.00000000 Z=0.75000000
      -1: X=0.25000000 Y=0.89180000 Z=0.50000000
      -1: X=0.25000000 Y=0.60820000 Z=0.00000000
      -1: X=0.85820000 Y=0.50000000 Z=0.25000000
      -1: X=0.14180000 Y=0.50000000 Z=0.75000000
      -1: X=0.25000000 Y=0.10820000 Z=0.00000000
      -1: X=0.25000000 Y=0.39180000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.12020000 Y=0.37020000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.87980000 Y=0.62980000 Z=0.87500000
      -2: X=0.87980000 Y=0.87020000 Z=0.37500000
      -2: X=0.62020000 Y=0.62980000 Z=0.12500000
      -2: X=0.87980000 Y=0.37020000 Z=0.62500000
      -2: X=0.12020000 Y=0.62980000 Z=0.37500000
      -2: X=0.87980000 Y=0.12980000 Z=0.12500000
      -2: X=0.12020000 Y=0.87020000 Z=0.87500000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.06304000 Y=0.14176000 Z=0.42908000
          MULT=16          ISPLIT= 8
      -3: X=0.93696000 Y=0.85824000 Z=0.57092000
      -3: X=0.10824000 Y=0.81304000 Z=0.67908000
      -3: X=0.39176000 Y=0.68696000 Z=0.82092000
      -3: X=0.93696000 Y=0.14176000 Z=0.92908000
      -3: X=0.06304000 Y=0.85824000 Z=0.07092000
      -3: X=0.93696000 Y=0.35824000 Z=0.42908000
      -3: X=0.06304000 Y=0.64176000 Z=0.57092000
      -3: X=0.10824000 Y=0.68696000 Z=0.17908000
      -3: X=0.39176000 Y=0.81304000 Z=0.32092000
      -3: X=0.39176000 Y=0.18696000 Z=0.17908000
      -3: X=0.10824000 Y=0.31304000 Z=0.32092000
      -3: X=0.06304000 Y=0.35824000 Z=0.92908000
      -3: X=0.93696000 Y=0.64176000 Z=0.07092000
      -3: X=0.39176000 Y=0.31304000 Z=0.67908000
      -3: X=0.10824000 Y=0.18696000 Z=0.82092000
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