P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.795362 20.729351 18.437680 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.34626000 Y=0.07588000 Z=0.46762000
          MULT= 8          ISPLIT= 8
      -1: X=0.65374000 Y=0.92412000 Z=0.53238000
      -1: X=0.84626000 Y=0.07588000 Z=0.03238000
      -1: X=0.15374000 Y=0.92412000 Z=0.96762000
      -1: X=0.15374000 Y=0.57588000 Z=0.96762000
      -1: X=0.84626000 Y=0.42412000 Z=0.03238000
      -1: X=0.65374000 Y=0.57588000 Z=0.53238000
      -1: X=0.34626000 Y=0.42412000 Z=0.46762000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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  -2: X=0.17878000 Y=0.25000000 Z=0.75578000
          MULT= 4          ISPLIT= 8
      -2: X=0.82122000 Y=0.75000000 Z=0.24422000
      -2: X=0.67878000 Y=0.25000000 Z=0.74422000
      -2: X=0.32122000 Y=0.75000000 Z=0.25578000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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=0.00487000 Y=0.25000000 Z=0.40637000
          MULT= 4          ISPLIT= 8
      -3: X=0.99513000 Y=0.75000000 Z=0.59363000
      -3: X=0.50487000 Y=0.25000000 Z=0.09363000
      -3: X=0.49513000 Y=0.75000000 Z=0.90637000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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  -4: X=0.22051000 Y=0.25000000 Z=0.52280000
          MULT= 4          ISPLIT= 8
      -4: X=0.77949000 Y=0.75000000 Z=0.47720000
      -4: X=0.72051000 Y=0.25000000 Z=0.97720000
      -4: X=0.27949000 Y=0.75000000 Z=0.02280000
As         NPT=  781  R0=.000050000 RMT= 2.17        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.14005000 Y=0.25000000 Z=0.08471000
          MULT= 4          ISPLIT= 8
      -5: X=0.85995000 Y=0.75000000 Z=0.91529000
      -5: X=0.64005000 Y=0.25000000 Z=0.41529000
      -5: X=0.35995000 Y=0.75000000 Z=0.58471000
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  -6: X=0.06369000 Y=0.54549000 Z=0.30425000
          MULT= 8          ISPLIT= 8
      -6: X=0.93631000 Y=0.45451000 Z=0.69575000
      -6: X=0.56369000 Y=0.54549000 Z=0.19575000
      -6: X=0.43631000 Y=0.45451000 Z=0.80425000
      -6: X=0.43631000 Y=0.04549000 Z=0.80425000
      -6: X=0.56369000 Y=0.95451000 Z=0.19575000
      -6: X=0.93631000 Y=0.04549000 Z=0.69575000
      -6: X=0.06369000 Y=0.95451000 Z=0.30425000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000