P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.232963 16.767540 14.666165 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06409000 Y=0.06315000 Z=0.19281000
          MULT= 8          ISPLIT= 8
      -1: X=0.93591000 Y=0.93685000 Z=0.80719000
      -1: X=0.56409000 Y=0.06315000 Z=0.30719000
      -1: X=0.43591000 Y=0.93685000 Z=0.69281000
      -1: X=0.43591000 Y=0.56315000 Z=0.69281000
      -1: X=0.56409000 Y=0.43685000 Z=0.30719000
      -1: X=0.93591000 Y=0.56315000 Z=0.80719000
      -1: X=0.06409000 Y=0.43685000 Z=0.19281000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00614000 Y=0.25000000 Z=0.52207000
          MULT= 4          ISPLIT= 8
      -2: X=0.99386000 Y=0.75000000 Z=0.47793000
      -2: X=0.50614000 Y=0.25000000 Z=0.97793000
      -2: X=0.49386000 Y=0.75000000 Z=0.02207000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.23067000 Y=0.25000000 Z=0.82240000
          MULT= 4          ISPLIT= 8
      -3: X=0.76933000 Y=0.75000000 Z=0.17760000
      -3: X=0.73067000 Y=0.25000000 Z=0.67760000
      -3: X=0.26933000 Y=0.75000000 Z=0.32240000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28828000 Y=0.25000000 Z=0.34151000
          MULT= 4          ISPLIT= 8
      -4: X=0.71172000 Y=0.75000000 Z=0.65849000
      -4: X=0.78828000 Y=0.25000000 Z=0.15849000
      -4: X=0.21172000 Y=0.75000000 Z=0.84151000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.32448000 Y=0.01017000 Z=0.06435000
          MULT= 8          ISPLIT= 8
      -5: X=0.67552000 Y=0.98983000 Z=0.93565000
      -5: X=0.82448000 Y=0.01017000 Z=0.43565000
      -5: X=0.17552000 Y=0.98983000 Z=0.56435000
      -5: X=0.17552000 Y=0.51017000 Z=0.56435000
      -5: X=0.82448000 Y=0.48983000 Z=0.43565000
      -5: X=0.67552000 Y=0.51017000 Z=0.93565000
      -5: X=0.32448000 Y=0.48983000 Z=0.06435000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.47527000 Y=0.25000000 Z=0.59812000
          MULT= 4          ISPLIT= 8
      -6: X=0.52473000 Y=0.75000000 Z=0.40188000
      -6: X=0.97527000 Y=0.25000000 Z=0.90188000
      -6: X=0.02473000 Y=0.75000000 Z=0.09812000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000