P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.808444 21.875470 19.280876 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05793000 Y=0.04470000 Z=0.30119000
          MULT= 8          ISPLIT= 8
      -1: X=0.94207000 Y=0.95530000 Z=0.69881000
      -1: X=0.55793000 Y=0.04470000 Z=0.19881000
      -1: X=0.44207000 Y=0.95530000 Z=0.80119000
      -1: X=0.44207000 Y=0.54470000 Z=0.80119000
      -1: X=0.55793000 Y=0.45530000 Z=0.19881000
      -1: X=0.94207000 Y=0.54470000 Z=0.69881000
      -1: X=0.05793000 Y=0.45530000 Z=0.30119000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.36050000 Y=0.25000000 Z=0.58750000
          MULT= 4          ISPLIT= 8
      -2: X=0.63950000 Y=0.75000000 Z=0.41250000
      -2: X=0.86050000 Y=0.25000000 Z=0.91250000
      -2: X=0.13950000 Y=0.75000000 Z=0.08750000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.27927000 Y=0.25000000 Z=0.02055000
          MULT= 4          ISPLIT= 8
      -3: X=0.72073000 Y=0.75000000 Z=0.97945000
      -3: X=0.77927000 Y=0.25000000 Z=0.47945000
      -3: X=0.22073000 Y=0.75000000 Z=0.52055000
Sb         NPT=  781  R0=.000010000 RMT= 2.38        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.31390000 Y=0.25000000 Z=0.26000000
          MULT= 4          ISPLIT= 8
      -4: X=0.68610000 Y=0.75000000 Z=0.74000000
      -4: X=0.81390000 Y=0.25000000 Z=0.24000000
      -4: X=0.18610000 Y=0.75000000 Z=0.76000000
Se         NPT=  781  R0=.000050000 RMT= 2.26        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  -5: X=0.00080000 Y=0.25000000 Z=0.59090000
          MULT= 4          ISPLIT= 8
      -5: X=0.99920000 Y=0.75000000 Z=0.40910000
      -5: X=0.50080000 Y=0.25000000 Z=0.90910000
      -5: X=0.49920000 Y=0.75000000 Z=0.09090000
Se         NPT=  781  R0=.000050000 RMT= 2.26        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=0.34552000 Y=0.57276000 Z=0.46250000
          MULT= 8          ISPLIT= 8
      -6: X=0.65448000 Y=0.42724000 Z=0.53750000
      -6: X=0.84552000 Y=0.57276000 Z=0.03750000
      -6: X=0.15448000 Y=0.42724000 Z=0.96250000
      -6: X=0.15448000 Y=0.07276000 Z=0.96250000
      -6: X=0.84552000 Y=0.92724000 Z=0.03750000
      -6: X=0.65448000 Y=0.07276000 Z=0.53750000
      -6: X=0.34552000 Y=0.92724000 Z=0.46250000
Se         NPT=  781  R0=.000050000 RMT= 2.26        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000