P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.450951 22.504749 19.373472 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22072000 Y=0.25000000 Z=0.51824000
          MULT= 4          ISPLIT= 8
      -1: X=0.77928000 Y=0.75000000 Z=0.48176000
      -1: X=0.72072000 Y=0.25000000 Z=0.98176000
      -1: X=0.27928000 Y=0.75000000 Z=0.01824000
Nb         NPT=  781  R0=.000010000 RMT= 2.24        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.20648000 Y=0.25000000 Z=0.75029000
          MULT= 4          ISPLIT= 8
      -2: X=0.79352000 Y=0.75000000 Z=0.24971000
      -2: X=0.70648000 Y=0.25000000 Z=0.74971000
      -2: X=0.29352000 Y=0.75000000 Z=0.25029000
Se         NPT=  781  R0=.000050000 RMT= 2.24        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=0.04599000 Y=0.54173000 Z=0.29322000
          MULT= 8          ISPLIT= 8
      -3: X=0.95401000 Y=0.45827000 Z=0.70678000
      -3: X=0.54599000 Y=0.54173000 Z=0.20678000
      -3: X=0.45401000 Y=0.45827000 Z=0.79322000
      -3: X=0.45401000 Y=0.04173000 Z=0.79322000
      -3: X=0.54599000 Y=0.95827000 Z=0.20678000
      -3: X=0.95401000 Y=0.04173000 Z=0.70678000
      -3: X=0.04599000 Y=0.95827000 Z=0.29322000
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  -4: X=0.14774000 Y=0.25000000 Z=0.09089000
          MULT= 4          ISPLIT= 8
      -4: X=0.85226000 Y=0.75000000 Z=0.90911000
      -4: X=0.64774000 Y=0.25000000 Z=0.40911000
      -4: X=0.35226000 Y=0.75000000 Z=0.59089000
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
ATOM  -5: X=0.00504000 Y=0.25000000 Z=0.42879000
          MULT= 4          ISPLIT= 8
      -5: X=0.99496000 Y=0.75000000 Z=0.57121000
      -5: X=0.50504000 Y=0.25000000 Z=0.07121000
      -5: X=0.49496000 Y=0.75000000 Z=0.92879000
Se         NPT=  781  R0=.000050000 RMT= 2.24        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  -6: X=0.33211000 Y=0.08343000 Z=0.45123000
          MULT= 8          ISPLIT= 8
      -6: X=0.66789000 Y=0.91657000 Z=0.54877000
      -6: X=0.83211000 Y=0.08343000 Z=0.04877000
      -6: X=0.16789000 Y=0.91657000 Z=0.95123000
      -6: X=0.16789000 Y=0.58343000 Z=0.95123000
      -6: X=0.83211000 Y=0.41657000 Z=0.04877000
      -6: X=0.66789000 Y=0.58343000 Z=0.54877000
      -6: X=0.33211000 Y=0.41657000 Z=0.45123000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000