P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.190169 19.190169  9.472819 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15557000 Y=0.65898000 Z=0.24350000
          MULT= 8          ISPLIT= 8
      -1: X=0.84443000 Y=0.34102000 Z=0.75650000
      -1: X=0.34102000 Y=0.65557000 Z=0.74350000
      -1: X=0.65898000 Y=0.34443000 Z=0.25650000
      -1: X=0.34443000 Y=0.84102000 Z=0.24350000
      -1: X=0.65557000 Y=0.15898000 Z=0.75650000
      -1: X=0.15898000 Y=0.84443000 Z=0.74350000
      -1: X=0.84102000 Y=0.15557000 Z=0.25650000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10483000 Y=0.24626000 Z=0.50440000
          MULT= 8          ISPLIT= 8
      -2: X=0.89517000 Y=0.75374000 Z=0.49560000
      -2: X=0.75374000 Y=0.60483000 Z=0.00440000
      -2: X=0.24626000 Y=0.39517000 Z=0.99560000
      -2: X=0.39517000 Y=0.25374000 Z=0.50440000
      -2: X=0.60483000 Y=0.74626000 Z=0.49560000
      -2: X=0.74626000 Y=0.89517000 Z=0.00440000
      -2: X=0.25374000 Y=0.10483000 Z=0.99560000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.54548000 Y=0.05257000 Z=0.25260000
          MULT= 8          ISPLIT= 8
      -3: X=0.45452000 Y=0.94743000 Z=0.74740000
      -3: X=0.94743000 Y=0.04548000 Z=0.75260000
      -3: X=0.05257000 Y=0.95452000 Z=0.24740000
      -3: X=0.95452000 Y=0.44743000 Z=0.25260000
      -3: X=0.04548000 Y=0.55257000 Z=0.74740000
      -3: X=0.55257000 Y=0.45452000 Z=0.75260000
      -3: X=0.44743000 Y=0.54548000 Z=0.24740000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04200000 Y=0.24170000 Z=0.00640000
          MULT= 8          ISPLIT= 8
      -4: X=0.95800000 Y=0.75830000 Z=0.99360000
      -4: X=0.75830000 Y=0.54200000 Z=0.50640000
      -4: X=0.24170000 Y=0.45800000 Z=0.49360000
      -4: X=0.45800000 Y=0.25830000 Z=0.00640000
      -4: X=0.54200000 Y=0.74170000 Z=0.99360000
      -4: X=0.74170000 Y=0.95800000 Z=0.50640000
      -4: X=0.25830000 Y=0.04200000 Z=0.49360000
P          NPT=  781  R0=.000100000 RMT= 2.10        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000