P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.924851 22.657627 18.762335 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02029000 Y=0.25000000 Z=0.43564000
          MULT= 4          ISPLIT= 8
      -1: X=0.97971000 Y=0.75000000 Z=0.56436000
      -1: X=0.52029000 Y=0.25000000 Z=0.06436000
      -1: X=0.47971000 Y=0.75000000 Z=0.93564000
Se         NPT=  781  R0=.000050000 RMT= 2.27        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.21674000 Y=0.25000000 Z=0.74307000
          MULT= 4          ISPLIT= 8
      -2: X=0.78326000 Y=0.75000000 Z=0.25693000
      -2: X=0.71674000 Y=0.25000000 Z=0.75693000
      -2: X=0.28326000 Y=0.75000000 Z=0.24307000
Se         NPT=  781  R0=.000050000 RMT= 2.27        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.32790000 Y=0.09804000 Z=0.45322000
          MULT= 8          ISPLIT= 8
      -3: X=0.67210000 Y=0.90196000 Z=0.54678000
      -3: X=0.82790000 Y=0.09804000 Z=0.04678000
      -3: X=0.17210000 Y=0.90196000 Z=0.95322000
      -3: X=0.17210000 Y=0.59804000 Z=0.95322000
      -3: X=0.82790000 Y=0.40196000 Z=0.04678000
      -3: X=0.67210000 Y=0.59804000 Z=0.54678000
      -3: X=0.32790000 Y=0.40196000 Z=0.45322000
Se         NPT=  781  R0=.000050000 RMT= 2.27        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.22430000 Y=0.25000000 Z=0.52150000
          MULT= 4          ISPLIT= 8
      -4: X=0.77570000 Y=0.75000000 Z=0.47850000
      -4: X=0.72430000 Y=0.25000000 Z=0.97850000
      -4: X=0.27570000 Y=0.75000000 Z=0.02150000
P          NPT=  781  R0=.000100000 RMT= 1.86        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.03340000 Y=0.53990000 Z=0.29484000
          MULT= 8          ISPLIT= 8
      -5: X=0.96660000 Y=0.46010000 Z=0.70516000
      -5: X=0.53340000 Y=0.53990000 Z=0.20516000
      -5: X=0.46660000 Y=0.46010000 Z=0.79484000
      -5: X=0.46660000 Y=0.03990000 Z=0.79484000
      -5: X=0.53340000 Y=0.96010000 Z=0.20516000
      -5: X=0.96660000 Y=0.03990000 Z=0.70516000
      -5: X=0.03340000 Y=0.96010000 Z=0.29484000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.16014000 Y=0.25000000 Z=0.09679000
          MULT= 4          ISPLIT= 8
      -6: X=0.83986000 Y=0.75000000 Z=0.90321000
      -6: X=0.66014000 Y=0.25000000 Z=0.40321000
      -6: X=0.33986000 Y=0.75000000 Z=0.59679000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000