P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.080548 14.230394 18.763658 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.17580000 Y=0.25000000 Z=0.67630000
          MULT= 4          ISPLIT= 8
      -1: X=0.82420000 Y=0.75000000 Z=0.32370000
      -1: X=0.67580000 Y=0.25000000 Z=0.82370000
      -1: X=0.32420000 Y=0.75000000 Z=0.17630000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.06630000 Y=0.25000000 Z=0.19270000
          MULT= 4          ISPLIT= 8
      -2: X=0.93370000 Y=0.75000000 Z=0.80730000
      -2: X=0.56630000 Y=0.25000000 Z=0.30730000
      -2: X=0.43370000 Y=0.75000000 Z=0.69270000
Al         NPT=  781  R0=.000100000 RMT= 1.96        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.41100000 Y=0.25000000 Z=0.42000000
          MULT= 4          ISPLIT= 8
      -3: X=0.58900000 Y=0.75000000 Z=0.58000000
      -3: X=0.91100000 Y=0.25000000 Z=0.08000000
      -3: X=0.08900000 Y=0.75000000 Z=0.92000000
Br         NPT=  781  R0=.000050000 RMT= 2.17        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.21910000 Y=0.25000000 Z=0.04930000
          MULT= 4          ISPLIT= 8
      -4: X=0.78090000 Y=0.75000000 Z=0.95070000
      -4: X=0.71910000 Y=0.25000000 Z=0.45070000
      -4: X=0.28090000 Y=0.75000000 Z=0.54930000
Br         NPT=  781  R0=.000050000 RMT= 2.17        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.08080000 Y=0.00970000 Z=0.33150000
          MULT= 8          ISPLIT= 8
      -5: X=0.91920000 Y=0.99030000 Z=0.66850000
      -5: X=0.58080000 Y=0.00970000 Z=0.16850000
      -5: X=0.41920000 Y=0.99030000 Z=0.83150000
      -5: X=0.41920000 Y=0.50970000 Z=0.83150000
      -5: X=0.58080000 Y=0.49030000 Z=0.16850000
      -5: X=0.91920000 Y=0.50970000 Z=0.66850000
      -5: X=0.08080000 Y=0.49030000 Z=0.33150000
Br         NPT=  781  R0=.000050000 RMT= 2.17        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000