P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.006753 12.953128  8.305913 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36730000 Y=0.25000000 Z=0.44090000
          MULT= 4          ISPLIT= 8
      -1: X=0.63270000 Y=0.75000000 Z=0.55910000
      -1: X=0.86730000 Y=0.25000000 Z=0.05910000
      -1: X=0.13270000 Y=0.75000000 Z=0.94090000
Y          NPT=  781  R0=.000010000 RMT= 2.20        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.02270000 Y=0.25000000 Z=0.59100000
          MULT= 4          ISPLIT= 8
      -2: X=0.97730000 Y=0.75000000 Z=0.40900000
      -2: X=0.52270000 Y=0.25000000 Z=0.90900000
      -2: X=0.47730000 Y=0.75000000 Z=0.09100000
F          NPT=  781  R0=.000100000 RMT= 2.09        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.16520000 Y=0.06430000 Z=0.12450000
          MULT= 8          ISPLIT= 8
      -3: X=0.83480000 Y=0.93570000 Z=0.87550000
      -3: X=0.66520000 Y=0.06430000 Z=0.37550000
      -3: X=0.33480000 Y=0.93570000 Z=0.62450000
      -3: X=0.33480000 Y=0.56430000 Z=0.62450000
      -3: X=0.66520000 Y=0.43570000 Z=0.37550000
      -3: X=0.83480000 Y=0.56430000 Z=0.87550000
      -3: X=0.16520000 Y=0.43570000 Z=0.12450000
F          NPT=  781  R0=.000100000 RMT= 2.09        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000