P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.227251 15.385772 13.657429 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07400000 Y=0.04210000 Z=0.19520000
          MULT= 8          ISPLIT= 8
      -1: X=0.92600000 Y=0.95790000 Z=0.80480000
      -1: X=0.57400000 Y=0.04210000 Z=0.30480000
      -1: X=0.42600000 Y=0.95790000 Z=0.69520000
      -1: X=0.42600000 Y=0.54210000 Z=0.69520000
      -1: X=0.57400000 Y=0.45790000 Z=0.30480000
      -1: X=0.92600000 Y=0.54210000 Z=0.80480000
      -1: X=0.07400000 Y=0.45790000 Z=0.19520000
Sc         NPT=  781  R0=.000050000 RMT= 2.44        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=0.22950000 Y=0.25000000 Z=0.81960000
          MULT= 4          ISPLIT= 8
      -2: X=0.77050000 Y=0.75000000 Z=0.18040000
      -2: X=0.72950000 Y=0.25000000 Z=0.68040000
      -2: X=0.27050000 Y=0.75000000 Z=0.31960000
Sc         NPT=  781  R0=.000050000 RMT= 2.44        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=0.00540000 Y=0.25000000 Z=0.53540000
          MULT= 4          ISPLIT= 8
      -3: X=0.99460000 Y=0.75000000 Z=0.46460000
      -3: X=0.50540000 Y=0.25000000 Z=0.96460000
      -3: X=0.49460000 Y=0.75000000 Z=0.03540000
Sc         NPT=  781  R0=.000050000 RMT= 2.44        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=0.28830000 Y=0.25000000 Z=0.34920000
          MULT= 4          ISPLIT= 8
      -4: X=0.71170000 Y=0.75000000 Z=0.65080000
      -4: X=0.78830000 Y=0.25000000 Z=0.15080000
      -4: X=0.21170000 Y=0.75000000 Z=0.84920000
Sc         NPT=  781  R0=.000050000 RMT= 2.44        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=0.48340000 Y=0.25000000 Z=0.57860000
          MULT= 4          ISPLIT= 8
      -5: X=0.51660000 Y=0.75000000 Z=0.42140000
      -5: X=0.98340000 Y=0.25000000 Z=0.92140000
      -5: X=0.01660000 Y=0.75000000 Z=0.07860000
As         NPT=  781  R0=.000050000 RMT= 2.44        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  -6: X=0.32930000 Y=0.01440000 Z=0.06750000
          MULT= 8          ISPLIT= 8
      -6: X=0.67070000 Y=0.98560000 Z=0.93250000
      -6: X=0.82930000 Y=0.01440000 Z=0.43250000
      -6: X=0.17070000 Y=0.98560000 Z=0.56750000
      -6: X=0.17070000 Y=0.51440000 Z=0.56750000
      -6: X=0.82930000 Y=0.48560000 Z=0.43250000
      -6: X=0.67070000 Y=0.51440000 Z=0.93250000
      -6: X=0.32930000 Y=0.48560000 Z=0.06750000
As         NPT=  781  R0=.000050000 RMT= 2.44        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000