P   LATTICE,NONEQUIV.ATOMS   4  126 P4/nnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.671834 14.671834 23.423155 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.12341000
          MULT= 4          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.87659000
      -1: X=0.75000000 Y=0.75000000 Z=0.62341000
      -1: X=0.25000000 Y=0.25000000 Z=0.37659000
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= 2.14        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= 2.14        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=0.07689000 Y=0.59041000 Z=0.12470000
          MULT=16          ISPLIT= 8
      -4: X=0.92311000 Y=0.40959000 Z=0.87530000
      -4: X=0.90959000 Y=0.07689000 Z=0.12470000
      -4: X=0.09041000 Y=0.92311000 Z=0.87530000
      -4: X=0.92311000 Y=0.09041000 Z=0.62470000
      -4: X=0.07689000 Y=0.90959000 Z=0.37530000
      -4: X=0.42311000 Y=0.90959000 Z=0.12470000
      -4: X=0.57689000 Y=0.09041000 Z=0.87530000
      -4: X=0.40959000 Y=0.92311000 Z=0.62470000
      -4: X=0.59041000 Y=0.07689000 Z=0.37530000
      -4: X=0.59041000 Y=0.42311000 Z=0.12470000
      -4: X=0.40959000 Y=0.57689000 Z=0.87530000
      -4: X=0.57689000 Y=0.40959000 Z=0.62470000
      -4: X=0.42311000 Y=0.59041000 Z=0.37530000
      -4: X=0.09041000 Y=0.57689000 Z=0.62470000
      -4: X=0.90959000 Y=0.42311000 Z=0.37530000
Se         NPT=  781  R0=.000050000 RMT= 2.36        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000