P   LATTICE,NONEQUIV.ATOMS   3   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.303672 13.303672 15.703624 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.52400000 Y=0.20300000 Z=0.14600000
          MULT= 8          ISPLIT= 8
      -1: X=0.47600000 Y=0.79700000 Z=0.85400000
      -1: X=0.79700000 Y=0.02400000 Z=0.64600000
      -1: X=0.20300000 Y=0.97600000 Z=0.35400000
      -1: X=0.97600000 Y=0.29700000 Z=0.14600000
      -1: X=0.02400000 Y=0.70300000 Z=0.85400000
      -1: X=0.70300000 Y=0.47600000 Z=0.64600000
      -1: X=0.29700000 Y=0.52400000 Z=0.35400000
As         NPT=  781  R0=.000050000 RMT= 1.80        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  -2: X=0.09200000 Y=0.06700000 Z=0.17000000
          MULT= 8          ISPLIT= 8
      -2: X=0.90800000 Y=0.93300000 Z=0.83000000
      -2: X=0.93300000 Y=0.59200000 Z=0.67000000
      -2: X=0.06700000 Y=0.40800000 Z=0.33000000
      -2: X=0.40800000 Y=0.43300000 Z=0.17000000
      -2: X=0.59200000 Y=0.56700000 Z=0.83000000
      -2: X=0.56700000 Y=0.90800000 Z=0.67000000
      -2: X=0.43300000 Y=0.09200000 Z=0.33000000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.75000000 Y=0.25000000 Z=0.24800000
          MULT= 4          ISPLIT= 8
      -3: X=0.25000000 Y=0.75000000 Z=0.75200000
      -3: X=0.75000000 Y=0.25000000 Z=0.74800000
      -3: X=0.25000000 Y=0.75000000 Z=0.25200000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000