P   LATTICE,NONEQUIV.ATOMS   4   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.538309 12.836910 12.470303 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.42940000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.57060000 Y=0.75000000 Z=0.75000000
      -1: X=0.92940000 Y=0.25000000 Z=0.75000000
      -1: X=0.07060000 Y=0.75000000 Z=0.25000000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.15390000 Y=0.06400000 Z=0.57880000
          MULT= 8          ISPLIT= 8
      -2: X=0.84610000 Y=0.93600000 Z=0.42120000
      -2: X=0.65390000 Y=0.06400000 Z=0.42120000
      -2: X=0.34610000 Y=0.93600000 Z=0.57880000
      -2: X=0.84610000 Y=0.56400000 Z=0.07880000
      -2: X=0.15390000 Y=0.43600000 Z=0.92120000
      -2: X=0.34610000 Y=0.56400000 Z=0.92120000
      -2: X=0.65390000 Y=0.43600000 Z=0.07880000
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  -3: X=0.25000000 Y=0.00000000 Z=0.05700000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.00000000 Z=0.94300000
      -3: X=0.75000000 Y=0.50000000 Z=0.55700000
      -3: X=0.25000000 Y=0.50000000 Z=0.44300000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00010000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.99990000 Y=0.75000000 Z=0.75000000
      -4: X=0.50010000 Y=0.25000000 Z=0.75000000
      -4: X=0.49990000 Y=0.75000000 Z=0.25000000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000