P   LATTICE,NONEQUIV.ATOMS   7   55 Pbam                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.817223 31.662361  6.734984 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07773000 Y=0.07147000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.92227000 Y=0.92853000 Z=0.50000000
      -1: X=0.42227000 Y=0.57147000 Z=0.50000000
      -1: X=0.57773000 Y=0.42853000 Z=0.50000000
Ta         NPT=  781  R0=.000005000 RMT= 2.37        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=0.33580000 Y=0.42588000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.66420000 Y=0.57412000 Z=0.00000000
      -2: X=0.16420000 Y=0.92588000 Z=0.00000000
      -2: X=0.83580000 Y=0.07412000 Z=0.00000000
Ta         NPT=  781  R0=.000005000 RMT= 2.37        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.50000000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.75        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.31228000 Y=0.00814000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -4: X=0.68772000 Y=0.99186000 Z=0.50000000
      -4: X=0.18772000 Y=0.50814000 Z=0.50000000
      -4: X=0.81228000 Y=0.49186000 Z=0.50000000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.40758000 Y=0.30993000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -5: X=0.59242000 Y=0.69007000 Z=0.50000000
      -5: X=0.09242000 Y=0.80993000 Z=0.50000000
      -5: X=0.90758000 Y=0.19007000 Z=0.50000000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.11343000 Y=0.32825000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.88657000 Y=0.67175000 Z=0.00000000
      -6: X=0.38657000 Y=0.82825000 Z=0.00000000
      -6: X=0.61343000 Y=0.17175000 Z=0.00000000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.20551000 Y=0.17408000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.79449000 Y=0.82592000 Z=0.00000000
      -7: X=0.29449000 Y=0.67408000 Z=0.00000000
      -7: X=0.70551000 Y=0.32592000 Z=0.00000000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000