P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.569875 10.627253 13.613398 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18035000 Y=0.25000000 Z=0.66139000
          MULT= 4          ISPLIT= 8
      -1: X=0.81965000 Y=0.75000000 Z=0.33861000
      -1: X=0.68035000 Y=0.25000000 Z=0.83861000
      -1: X=0.31965000 Y=0.75000000 Z=0.16139000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.06951000 Y=0.25000000 Z=0.18838000
          MULT= 4          ISPLIT= 8
      -2: X=0.93049000 Y=0.75000000 Z=0.81162000
      -2: X=0.56951000 Y=0.25000000 Z=0.31162000
      -2: X=0.43049000 Y=0.75000000 Z=0.68838000
Cl         NPT=  781  R0=.000100000 RMT= 1.35        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.19400000 Y=0.25000000 Z=0.05710000
          MULT= 4          ISPLIT= 8
      -3: X=0.80600000 Y=0.75000000 Z=0.94290000
      -3: X=0.69400000 Y=0.25000000 Z=0.44290000
      -3: X=0.30600000 Y=0.75000000 Z=0.55710000
O          NPT=  781  R0=.000100000 RMT= 1.35        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.42540000 Y=0.25000000 Z=0.40610000
          MULT= 4          ISPLIT= 8
      -4: X=0.57460000 Y=0.75000000 Z=0.59390000
      -4: X=0.92540000 Y=0.25000000 Z=0.09390000
      -4: X=0.07460000 Y=0.75000000 Z=0.90610000
O          NPT=  781  R0=.000100000 RMT= 1.35        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.08089000 Y=0.04060000 Z=0.30560000
          MULT= 8          ISPLIT= 8
      -5: X=0.91911000 Y=0.95940000 Z=0.69440000
      -5: X=0.58089000 Y=0.04060000 Z=0.19440000
      -5: X=0.41911000 Y=0.95940000 Z=0.80560000
      -5: X=0.41911000 Y=0.54060000 Z=0.80560000
      -5: X=0.58089000 Y=0.45940000 Z=0.19440000
      -5: X=0.91911000 Y=0.54060000 Z=0.69440000
      -5: X=0.08089000 Y=0.45940000 Z=0.30560000
O          NPT=  781  R0=.000100000 RMT= 1.35        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000