B   LATTICE,NONEQUIV.ATOMS   7  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 19.917713 19.917713 39.978290 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.21910000 Y=0.00000000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -1: X=0.78090000 Y=0.00000000 Z=0.00000000
      -1: X=0.25000000 Y=0.96910000 Z=0.25000000
      -1: X=0.25000000 Y=0.53090000 Z=0.25000000
      -1: X=0.78090000 Y=0.50000000 Z=0.00000000
      -1: X=0.21910000 Y=0.50000000 Z=0.00000000
      -1: X=0.25000000 Y=0.03090000 Z=0.75000000
      -1: X=0.25000000 Y=0.46910000 Z=0.75000000
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=0.00000000 Y=0.75000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.25000000 Z=0.87500000
Sb         NPT=  781  R0=.000010000 RMT= 2.37        Z:  51.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.02120000 Z=0.37630000
          MULT= 8          ISPLIT= 8
      -3: X=0.00000000 Y=0.97880000 Z=0.62370000
      -3: X=0.22880000 Y=0.75000000 Z=0.62630000
      -3: X=0.27120000 Y=0.75000000 Z=0.87370000
      -3: X=0.00000000 Y=0.47880000 Z=0.37630000
      -3: X=0.00000000 Y=0.52120000 Z=0.62370000
      -3: X=0.27120000 Y=0.25000000 Z=0.12630000
      -3: X=0.22880000 Y=0.25000000 Z=0.37370000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00200000 Z=0.13100000
          MULT= 8          ISPLIT= 8
      -4: X=0.00000000 Y=0.99800000 Z=0.86900000
      -4: X=0.24800000 Y=0.75000000 Z=0.38100000
      -4: X=0.25200000 Y=0.75000000 Z=0.11900000
      -4: X=0.00000000 Y=0.49800000 Z=0.13100000
      -4: X=0.00000000 Y=0.50200000 Z=0.86900000
      -4: X=0.25200000 Y=0.25000000 Z=0.88100000
      -4: X=0.24800000 Y=0.25000000 Z=0.61900000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.26390000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.73610000
      -5: X=0.00000000 Y=0.75000000 Z=0.51390000
      -5: X=0.50000000 Y=0.75000000 Z=0.98610000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        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  -6: X=0.00000000 Y=0.25000000 Z=0.75140000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.75000000 Z=0.24860000
      -6: X=0.00000000 Y=0.75000000 Z=0.00140000
      -6: X=0.50000000 Y=0.75000000 Z=0.49860000
Cl         NPT=  781  R0=.000100000 RMT= 2.04        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  -7: X=0.00000000 Y=0.25000000 Z=0.37500000
          MULT= 2          ISPLIT=-2
      -7: X=0.00000000 Y=0.75000000 Z=0.62500000
Sb         NPT=  781  R0=.000010000 RMT= 2.37        Z:  51.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000