P   LATTICE,NONEQUIV.ATOMS   3   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.242316  7.179259 31.841885 90.000000 90.000000133.984000                   
ATOM  -1: X=0.25300000 Y=0.03800000 Z=0.14600000
          MULT= 4          ISPLIT= 8
      -1: X=0.74700000 Y=0.96200000 Z=0.85400000
      -1: X=0.24700000 Y=0.46200000 Z=0.64600000
      -1: X=0.75300000 Y=0.53800000 Z=0.35400000
Y          NPT=  781  R0=.000010000 RMT= 2.07        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25400000 Y=0.55500000 Z=0.00200000
          MULT= 4          ISPLIT= 8
      -2: X=0.74600000 Y=0.44500000 Z=0.99800000
      -2: X=0.24600000 Y=0.94500000 Z=0.50200000
      -2: X=0.75400000 Y=0.05500000 Z=0.49800000
As         NPT=  781  R0=.000050000 RMT= 2.31        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24900000 Y=0.03300000 Z=0.31400000
          MULT= 4          ISPLIT= 8
      -3: X=0.75100000 Y=0.96700000 Z=0.68600000
      -3: X=0.25100000 Y=0.46700000 Z=0.81400000
      -3: X=0.74900000 Y=0.53300000 Z=0.18600000
S          NPT=  781  R0=.000100000 RMT= 1.78        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000