P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.852243  7.756759 29.205717 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.43930000 Y=0.25000000 Z=0.67700000
          MULT= 4          ISPLIT= 8
      -1: X=0.56070000 Y=0.75000000 Z=0.32300000
      -1: X=0.93930000 Y=0.25000000 Z=0.82300000
      -1: X=0.06070000 Y=0.75000000 Z=0.17700000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16750000 Y=0.25000000 Z=0.44290000
          MULT= 4          ISPLIT= 8
      -2: X=0.83250000 Y=0.75000000 Z=0.55710000
      -2: X=0.66750000 Y=0.25000000 Z=0.05710000
      -2: X=0.33250000 Y=0.75000000 Z=0.94290000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.16650000 Y=0.25000000 Z=0.00610000
          MULT= 4          ISPLIT= 8
      -3: X=0.83350000 Y=0.75000000 Z=0.99390000
      -3: X=0.66650000 Y=0.25000000 Z=0.49390000
      -3: X=0.33350000 Y=0.75000000 Z=0.50610000
Br         NPT=  781  R0=.000050000 RMT= 2.44        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=0.28730000 Y=0.25000000 Z=0.28670000
          MULT= 4          ISPLIT= 8
      -4: X=0.71270000 Y=0.75000000 Z=0.71330000
      -4: X=0.78730000 Y=0.25000000 Z=0.21330000
      -4: X=0.21270000 Y=0.75000000 Z=0.78670000
Br         NPT=  781  R0=.000050000 RMT= 2.44        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=0.02450000 Y=0.25000000 Z=0.60430000
          MULT= 4          ISPLIT= 8
      -5: X=0.97550000 Y=0.75000000 Z=0.39570000
      -5: X=0.52450000 Y=0.25000000 Z=0.89570000
      -5: X=0.47550000 Y=0.75000000 Z=0.10430000
Br         NPT=  781  R0=.000050000 RMT= 2.44        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000