B   LATTICE,NONEQUIV.ATOMS   6  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 14.400658 14.400658 61.152105 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.25000000 Y=0.25000000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
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=0.51962000 Z=0.33246000
          MULT= 8          ISPLIT= 8
      -2: X=0.00000000 Y=0.48038000 Z=0.66754000
      -2: X=0.73038000 Y=0.75000000 Z=0.58246000
      -2: X=0.76962000 Y=0.75000000 Z=0.91754000
      -2: X=0.00000000 Y=0.98038000 Z=0.33246000
      -2: X=0.00000000 Y=0.01962000 Z=0.66754000
      -2: X=0.76962000 Y=0.25000000 Z=0.08246000
      -2: X=0.73038000 Y=0.25000000 Z=0.41754000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.25000000 Z=0.20447000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.79553000
      -3: X=0.00000000 Y=0.75000000 Z=0.45447000
      -3: X=0.50000000 Y=0.75000000 Z=0.04553000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.50650000 Z=0.25086000
          MULT= 8          ISPLIT= 8
      -4: X=0.00000000 Y=0.49350000 Z=0.74914000
      -4: X=0.74350000 Y=0.75000000 Z=0.50086000
      -4: X=0.75650000 Y=0.75000000 Z=0.99914000
      -4: X=0.00000000 Y=0.99350000 Z=0.25086000
      -4: X=0.00000000 Y=0.00650000 Z=0.74914000
      -4: X=0.75650000 Y=0.25000000 Z=0.00086000
      -4: X=0.74350000 Y=0.25000000 Z=0.49914000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
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=0.00970000 Z=0.07835000
          MULT= 8          ISPLIT= 8
      -5: X=0.00000000 Y=0.99030000 Z=0.92165000
      -5: X=0.24030000 Y=0.75000000 Z=0.32835000
      -5: X=0.25970000 Y=0.75000000 Z=0.17165000
      -5: X=0.00000000 Y=0.49030000 Z=0.07835000
      -5: X=0.00000000 Y=0.50970000 Z=0.92165000
      -5: X=0.25970000 Y=0.25000000 Z=0.82835000
      -5: X=0.24030000 Y=0.25000000 Z=0.67165000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.02200000 Z=0.41312000
          MULT= 8          ISPLIT= 8
      -6: X=0.00000000 Y=0.97800000 Z=0.58688000
      -6: X=0.22800000 Y=0.75000000 Z=0.66312000
      -6: X=0.27200000 Y=0.75000000 Z=0.83688000
      -6: X=0.00000000 Y=0.47800000 Z=0.41312000
      -6: X=0.00000000 Y=0.52200000 Z=0.58688000
      -6: X=0.27200000 Y=0.25000000 Z=0.16312000
      -6: X=0.22800000 Y=0.25000000 Z=0.33688000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000