P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.416386  7.413396 18.326564 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12380000 Y=0.25000000 Z=0.13200000
          MULT= 4          ISPLIT= 8
      -1: X=0.87620000 Y=0.75000000 Z=0.86800000
      -1: X=0.62380000 Y=0.25000000 Z=0.36800000
      -1: X=0.37620000 Y=0.75000000 Z=0.63200000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.33750000 Y=0.25000000 Z=0.45190000
          MULT= 4          ISPLIT= 8
      -2: X=0.66250000 Y=0.75000000 Z=0.54810000
      -2: X=0.83750000 Y=0.25000000 Z=0.04810000
      -2: X=0.16250000 Y=0.75000000 Z=0.95190000
S          NPT=  781  R0=.000100000 RMT= 2.09        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.01340000 Y=0.25000000 Z=0.67700000
          MULT= 4          ISPLIT= 8
      -3: X=0.98660000 Y=0.75000000 Z=0.32300000
      -3: X=0.51340000 Y=0.25000000 Z=0.82300000
      -3: X=0.48660000 Y=0.75000000 Z=0.17700000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000