P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.452841 19.452841  9.824686 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15540000 Y=0.66520000 Z=0.22720000
          MULT= 8          ISPLIT= 8
      -1: X=0.84460000 Y=0.33480000 Z=0.77280000
      -1: X=0.33480000 Y=0.65540000 Z=0.72720000
      -1: X=0.66520000 Y=0.34460000 Z=0.27280000
      -1: X=0.34460000 Y=0.83480000 Z=0.22720000
      -1: X=0.65540000 Y=0.16520000 Z=0.77280000
      -1: X=0.16520000 Y=0.84460000 Z=0.72720000
      -1: X=0.83480000 Y=0.15540000 Z=0.27280000
Nb         NPT=  781  R0=.000010000 RMT= 2.45        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10210000 Y=0.23830000 Z=0.51810000
          MULT= 8          ISPLIT= 8
      -2: X=0.89790000 Y=0.76170000 Z=0.48190000
      -2: X=0.76170000 Y=0.60210000 Z=0.01810000
      -2: X=0.23830000 Y=0.39790000 Z=0.98190000
      -2: X=0.39790000 Y=0.26170000 Z=0.51810000
      -2: X=0.60210000 Y=0.73830000 Z=0.48190000
      -2: X=0.73830000 Y=0.89790000 Z=0.01810000
      -2: X=0.26170000 Y=0.10210000 Z=0.98190000
Nb         NPT=  781  R0=.000010000 RMT= 2.45        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.53640000 Y=0.05620000 Z=0.25890000
          MULT= 8          ISPLIT= 8
      -3: X=0.46360000 Y=0.94380000 Z=0.74110000
      -3: X=0.94380000 Y=0.03640000 Z=0.75890000
      -3: X=0.05620000 Y=0.96360000 Z=0.24110000
      -3: X=0.96360000 Y=0.44380000 Z=0.25890000
      -3: X=0.03640000 Y=0.55620000 Z=0.74110000
      -3: X=0.55620000 Y=0.46360000 Z=0.75890000
      -3: X=0.44380000 Y=0.53640000 Z=0.24110000
Nb         NPT=  781  R0=.000010000 RMT= 2.45        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04300000 Y=0.22860000 Z=0.02030000
          MULT= 8          ISPLIT= 8
      -4: X=0.95700000 Y=0.77140000 Z=0.97970000
      -4: X=0.77140000 Y=0.54300000 Z=0.52030000
      -4: X=0.22860000 Y=0.45700000 Z=0.47970000
      -4: X=0.45700000 Y=0.27140000 Z=0.02030000
      -4: X=0.54300000 Y=0.72860000 Z=0.97970000
      -4: X=0.72860000 Y=0.95700000 Z=0.52030000
      -4: X=0.27140000 Y=0.04300000 Z=0.47970000
As         NPT=  781  R0=.000050000 RMT= 2.45        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000