P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.463964 27.419926 11.047339 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.29771000 Y=0.10248000 Z=0.16313000
          MULT= 8          ISPLIT= 8
      -1: X=0.70229000 Y=0.89752000 Z=0.83687000
      -1: X=0.79771000 Y=0.10248000 Z=0.33687000
      -1: X=0.20229000 Y=0.89752000 Z=0.66313000
      -1: X=0.20229000 Y=0.60248000 Z=0.66313000
      -1: X=0.79771000 Y=0.39752000 Z=0.33687000
      -1: X=0.70229000 Y=0.60248000 Z=0.83687000
      -1: X=0.29771000 Y=0.39752000 Z=0.16313000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.04253000 Y=0.63475000 Z=0.39078000
          MULT= 8          ISPLIT= 8
      -2: X=0.95747000 Y=0.36525000 Z=0.60922000
      -2: X=0.54253000 Y=0.63475000 Z=0.10922000
      -2: X=0.45747000 Y=0.36525000 Z=0.89078000
      -2: X=0.45747000 Y=0.13475000 Z=0.89078000
      -2: X=0.54253000 Y=0.86525000 Z=0.10922000
      -2: X=0.95747000 Y=0.13475000 Z=0.60922000
      -2: X=0.04253000 Y=0.86525000 Z=0.39078000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.35341000 Y=0.25000000 Z=0.73418000
          MULT= 4          ISPLIT= 8
      -3: X=0.64659000 Y=0.75000000 Z=0.26582000
      -3: X=0.85341000 Y=0.25000000 Z=0.76582000
      -3: X=0.14659000 Y=0.75000000 Z=0.23418000
S          NPT=  781  R0=.000100000 RMT= 1.94        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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.05399000 Y=0.25000000 Z=0.19738000
          MULT= 4          ISPLIT= 8
      -5: X=0.94601000 Y=0.75000000 Z=0.80262000
      -5: X=0.55399000 Y=0.25000000 Z=0.30262000
      -5: X=0.44601000 Y=0.75000000 Z=0.69738000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000