P   LATTICE,NONEQUIV.ATOMS   4  126 P4/nnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.157828 14.157828 22.455616 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.11808000
          MULT= 4          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.88192000
      -1: X=0.75000000 Y=0.75000000 Z=0.61808000
      -1: X=0.25000000 Y=0.25000000 Z=0.38192000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.75000000 Z=0.00000000
          MULT= 4          ISPLIT=-2
      -2: X=0.75000000 Y=0.25000000 Z=0.00000000
      -2: X=0.75000000 Y=0.25000000 Z=0.50000000
      -2: X=0.25000000 Y=0.75000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 2.17        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.75000000 Z=0.75000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.25000000 Z=0.25000000
      -3: X=0.75000000 Y=0.25000000 Z=0.75000000
      -3: X=0.25000000 Y=0.75000000 Z=0.25000000
Al         NPT=  781  R0=.000100000 RMT= 2.17        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.08650000 Y=0.59240000 Z=0.12540000
          MULT=16          ISPLIT= 8
      -4: X=0.91350000 Y=0.40760000 Z=0.87460000
      -4: X=0.90760000 Y=0.08650000 Z=0.12540000
      -4: X=0.09240000 Y=0.91350000 Z=0.87460000
      -4: X=0.91350000 Y=0.09240000 Z=0.62540000
      -4: X=0.08650000 Y=0.90760000 Z=0.37460000
      -4: X=0.41350000 Y=0.90760000 Z=0.12540000
      -4: X=0.58650000 Y=0.09240000 Z=0.87460000
      -4: X=0.40760000 Y=0.91350000 Z=0.62540000
      -4: X=0.59240000 Y=0.08650000 Z=0.37460000
      -4: X=0.59240000 Y=0.41350000 Z=0.12540000
      -4: X=0.40760000 Y=0.58650000 Z=0.87460000
      -4: X=0.58650000 Y=0.40760000 Z=0.62540000
      -4: X=0.41350000 Y=0.59240000 Z=0.37460000
      -4: X=0.09240000 Y=0.58650000 Z=0.62540000
      -4: X=0.90760000 Y=0.41350000 Z=0.37460000
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000