B   LATTICE,NONEQUIV.ATOMS   6   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 25.171152 25.171152 11.565124 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.37700000 Y=0.12400000 Z=0.01200000
          MULT= 8          ISPLIT= 8
      -1: X=0.62300000 Y=0.87600000 Z=0.98800000
      -1: X=0.12600000 Y=0.12700000 Z=0.76200000
      -1: X=0.37400000 Y=0.37300000 Z=0.73800000
      -1: X=0.62300000 Y=0.37600000 Z=0.01200000
      -1: X=0.37700000 Y=0.62400000 Z=0.98800000
      -1: X=0.37400000 Y=0.87300000 Z=0.26200000
      -1: X=0.12600000 Y=0.62700000 Z=0.23800000
Ta         NPT=  781  R0=.000005000 RMT= 1.95        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12500000 Y=0.12300000 Z=0.24000000
          MULT= 8          ISPLIT= 8
      -2: X=0.87500000 Y=0.87700000 Z=0.76000000
      -2: X=0.12700000 Y=0.87500000 Z=0.99000000
      -2: X=0.37300000 Y=0.62500000 Z=0.51000000
      -2: X=0.87500000 Y=0.37700000 Z=0.24000000
      -2: X=0.12500000 Y=0.62300000 Z=0.76000000
      -2: X=0.37300000 Y=0.12500000 Z=0.49000000
      -2: X=0.12700000 Y=0.37500000 Z=0.01000000
Ta         NPT=  781  R0=.000005000 RMT= 1.95        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.01900000 Y=0.12500000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -3: X=0.98100000 Y=0.87500000 Z=0.00000000
      -3: X=0.12500000 Y=0.76900000 Z=0.75000000
      -3: X=0.37500000 Y=0.73100000 Z=0.75000000
      -3: X=0.98100000 Y=0.37500000 Z=0.00000000
      -3: X=0.01900000 Y=0.62500000 Z=0.00000000
      -3: X=0.37500000 Y=0.23100000 Z=0.25000000
      -3: X=0.12500000 Y=0.26900000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.02300000 Y=0.12600000 Z=0.50000000
          MULT= 8          ISPLIT= 8
      -4: X=0.97700000 Y=0.87400000 Z=0.50000000
      -4: X=0.12400000 Y=0.77300000 Z=0.25000000
      -4: X=0.37600000 Y=0.72700000 Z=0.25000000
      -4: X=0.97700000 Y=0.37400000 Z=0.50000000
      -4: X=0.02300000 Y=0.62600000 Z=0.50000000
      -4: X=0.37600000 Y=0.22700000 Z=0.75000000
      -4: X=0.12400000 Y=0.27300000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.27200000 Y=0.36800000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -5: X=0.72800000 Y=0.63200000 Z=0.00000000
      -5: X=0.88200000 Y=0.02200000 Z=0.75000000
      -5: X=0.61800000 Y=0.47800000 Z=0.75000000
      -5: X=0.72800000 Y=0.13200000 Z=0.00000000
      -5: X=0.27200000 Y=0.86800000 Z=0.00000000
      -5: X=0.61800000 Y=0.97800000 Z=0.25000000
      -5: X=0.88200000 Y=0.52200000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.23000000 Y=0.12000000 Z=0.01000000
          MULT= 8          ISPLIT= 8
      -6: X=0.77000000 Y=0.88000000 Z=0.99000000
      -6: X=0.13000000 Y=0.98000000 Z=0.76000000
      -6: X=0.37000000 Y=0.52000000 Z=0.74000000
      -6: X=0.77000000 Y=0.38000000 Z=0.01000000
      -6: X=0.23000000 Y=0.62000000 Z=0.99000000
      -6: X=0.37000000 Y=0.02000000 Z=0.26000000
      -6: X=0.13000000 Y=0.48000000 Z=0.24000000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000