B   LATTICE,NONEQUIV.ATOMS   7  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 20.280541 20.280541 41.090583 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.27360000 Y=0.00000000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -1: X=0.72640000 Y=0.00000000 Z=0.00000000
      -1: X=0.25000000 Y=0.02360000 Z=0.25000000
      -1: X=0.25000000 Y=0.47640000 Z=0.25000000
      -1: X=0.72640000 Y=0.50000000 Z=0.00000000
      -1: X=0.27360000 Y=0.50000000 Z=0.00000000
      -1: X=0.25000000 Y=0.97640000 Z=0.75000000
      -1: X=0.25000000 Y=0.52360000 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= 2.47        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=0.00920000 Z=0.37050000
          MULT= 8          ISPLIT= 8
      -3: X=0.00000000 Y=0.99080000 Z=0.62950000
      -3: X=0.24080000 Y=0.75000000 Z=0.62050000
      -3: X=0.25920000 Y=0.75000000 Z=0.87950000
      -3: X=0.00000000 Y=0.49080000 Z=0.37050000
      -3: X=0.00000000 Y=0.50920000 Z=0.62950000
      -3: X=0.25920000 Y=0.25000000 Z=0.12050000
      -3: X=0.24080000 Y=0.25000000 Z=0.37950000
Br         NPT=  781  R0=.000050000 RMT= 2.35        Z:  35.00000              
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=0.00870000 Z=0.12380000
          MULT= 8          ISPLIT= 8
      -4: X=0.00000000 Y=0.99130000 Z=0.87620000
      -4: X=0.24130000 Y=0.75000000 Z=0.37380000
      -4: X=0.25870000 Y=0.75000000 Z=0.12620000
      -4: X=0.00000000 Y=0.49130000 Z=0.12380000
      -4: X=0.00000000 Y=0.50870000 Z=0.87620000
      -4: X=0.25870000 Y=0.25000000 Z=0.87380000
      -4: X=0.24130000 Y=0.25000000 Z=0.62620000
Br         NPT=  781  R0=.000050000 RMT= 2.35        Z:  35.00000              
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=0.25690000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.74310000
      -5: X=0.00000000 Y=0.75000000 Z=0.50690000
      -5: X=0.50000000 Y=0.75000000 Z=0.99310000
Br         NPT=  781  R0=.000050000 RMT= 2.35        Z:  35.00000              
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=0.75330000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.75000000 Z=0.24670000
      -6: X=0.00000000 Y=0.75000000 Z=0.00330000
      -6: X=0.50000000 Y=0.75000000 Z=0.49670000
Br         NPT=  781  R0=.000050000 RMT= 2.35        Z:  35.00000              
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= 2.47        Z:  51.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000