P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.105131 19.105131  9.543117 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14300000 Y=0.66600000 Z=0.21500000
          MULT= 8          ISPLIT= 8
      -1: X=0.85700000 Y=0.33400000 Z=0.78500000
      -1: X=0.33400000 Y=0.64300000 Z=0.71500000
      -1: X=0.66600000 Y=0.35700000 Z=0.28500000
      -1: X=0.35700000 Y=0.83400000 Z=0.21500000
      -1: X=0.64300000 Y=0.16600000 Z=0.78500000
      -1: X=0.16600000 Y=0.85700000 Z=0.71500000
      -1: X=0.83400000 Y=0.14300000 Z=0.28500000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.11000000 Y=0.22200000 Z=0.53000000
          MULT= 8          ISPLIT= 8
      -2: X=0.89000000 Y=0.77800000 Z=0.47000000
      -2: X=0.77800000 Y=0.61000000 Z=0.03000000
      -2: X=0.22200000 Y=0.39000000 Z=0.97000000
      -2: X=0.39000000 Y=0.27800000 Z=0.53000000
      -2: X=0.61000000 Y=0.72200000 Z=0.47000000
      -2: X=0.72200000 Y=0.89000000 Z=0.03000000
      -2: X=0.27800000 Y=0.11000000 Z=0.97000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.53300000 Y=0.07000000 Z=0.25900000
          MULT= 8          ISPLIT= 8
      -3: X=0.46700000 Y=0.93000000 Z=0.74100000
      -3: X=0.93000000 Y=0.03300000 Z=0.75900000
      -3: X=0.07000000 Y=0.96700000 Z=0.24100000
      -3: X=0.96700000 Y=0.43000000 Z=0.25900000
      -3: X=0.03300000 Y=0.57000000 Z=0.74100000
      -3: X=0.57000000 Y=0.46700000 Z=0.75900000
      -3: X=0.43000000 Y=0.53300000 Z=0.24100000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.04400000 Y=0.20800000 Z=0.03500000
          MULT= 8          ISPLIT= 8
      -4: X=0.95600000 Y=0.79200000 Z=0.96500000
      -4: X=0.79200000 Y=0.54400000 Z=0.53500000
      -4: X=0.20800000 Y=0.45600000 Z=0.46500000
      -4: X=0.45600000 Y=0.29200000 Z=0.03500000
      -4: X=0.54400000 Y=0.70800000 Z=0.96500000
      -4: X=0.70800000 Y=0.95600000 Z=0.53500000
      -4: X=0.29200000 Y=0.04400000 Z=0.46500000
P          NPT=  781  R0=.000100000 RMT= 2.14        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000