P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.708915 13.087298 12.076295 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.44550000 Y=0.25000000 Z=0.65190000
          MULT= 4          ISPLIT= 8
      -1: X=0.55450000 Y=0.75000000 Z=0.34810000
      -1: X=0.94550000 Y=0.25000000 Z=0.84810000
      -1: X=0.05450000 Y=0.75000000 Z=0.15190000
Y          NPT=  781  R0=.000010000 RMT= 2.10        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.09260000 Y=0.25000000 Z=0.31380000
          MULT= 4          ISPLIT= 8
      -2: X=0.90740000 Y=0.75000000 Z=0.68620000
      -2: X=0.59260000 Y=0.25000000 Z=0.18620000
      -2: X=0.40740000 Y=0.75000000 Z=0.81380000
S          NPT=  781  R0=.000100000 RMT= 1.33        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=0.20570000 Y=0.25000000 Z=0.80040000
          MULT= 4          ISPLIT= 8
      -3: X=0.79430000 Y=0.75000000 Z=0.19960000
      -3: X=0.70570000 Y=0.25000000 Z=0.69960000
      -3: X=0.29430000 Y=0.75000000 Z=0.30040000
F          NPT=  781  R0=.000100000 RMT= 2.00        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.06120000 Y=0.08160000 Z=0.17340000
          MULT= 8          ISPLIT= 8
      -4: X=0.93880000 Y=0.91840000 Z=0.82660000
      -4: X=0.56120000 Y=0.08160000 Z=0.32660000
      -4: X=0.43880000 Y=0.91840000 Z=0.67340000
      -4: X=0.43880000 Y=0.58160000 Z=0.67340000
      -4: X=0.56120000 Y=0.41840000 Z=0.32660000
      -4: X=0.93880000 Y=0.58160000 Z=0.82660000
      -4: X=0.06120000 Y=0.41840000 Z=0.17340000
O          NPT=  781  R0=.000100000 RMT= 1.40        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25900000 Y=0.25000000 Z=0.38230000
          MULT= 4          ISPLIT= 8
      -5: X=0.74100000 Y=0.75000000 Z=0.61770000
      -5: X=0.75900000 Y=0.25000000 Z=0.11770000
      -5: X=0.24100000 Y=0.75000000 Z=0.88230000
O          NPT=  781  R0=.000100000 RMT= 1.40        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  -6: X=0.47980000 Y=0.25000000 Z=0.01300000
          MULT= 4          ISPLIT= 8
      -6: X=0.52020000 Y=0.75000000 Z=0.98700000
      -6: X=0.97980000 Y=0.25000000 Z=0.48700000
      -6: X=0.02020000 Y=0.75000000 Z=0.51300000
O          NPT=  781  R0=.000100000 RMT= 1.40        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000