P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.924937 20.924937 10.344361 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14200000 Y=0.66500000 Z=0.21300000
          MULT= 8          ISPLIT= 8
      -1: X=0.85800000 Y=0.33500000 Z=0.78700000
      -1: X=0.33500000 Y=0.64200000 Z=0.71300000
      -1: X=0.66500000 Y=0.35800000 Z=0.28700000
      -1: X=0.35800000 Y=0.83500000 Z=0.21300000
      -1: X=0.64200000 Y=0.16500000 Z=0.78700000
      -1: X=0.16500000 Y=0.85800000 Z=0.71300000
      -1: X=0.83500000 Y=0.14200000 Z=0.28700000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11300000 Y=0.22200000 Z=0.52700000
          MULT= 8          ISPLIT= 8
      -2: X=0.88700000 Y=0.77800000 Z=0.47300000
      -2: X=0.77800000 Y=0.61300000 Z=0.02700000
      -2: X=0.22200000 Y=0.38700000 Z=0.97300000
      -2: X=0.38700000 Y=0.27800000 Z=0.52700000
      -2: X=0.61300000 Y=0.72200000 Z=0.47300000
      -2: X=0.72200000 Y=0.88700000 Z=0.02700000
      -2: X=0.27800000 Y=0.11300000 Z=0.97300000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.53500000 Y=0.07100000 Z=0.26300000
          MULT= 8          ISPLIT= 8
      -3: X=0.46500000 Y=0.92900000 Z=0.73700000
      -3: X=0.92900000 Y=0.03500000 Z=0.76300000
      -3: X=0.07100000 Y=0.96500000 Z=0.23700000
      -3: X=0.96500000 Y=0.42900000 Z=0.26300000
      -3: X=0.03500000 Y=0.57100000 Z=0.73700000
      -3: X=0.57100000 Y=0.46500000 Z=0.76300000
      -3: X=0.42900000 Y=0.53500000 Z=0.23700000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
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=0.20900000 Z=0.03300000
          MULT= 8          ISPLIT= 8
      -4: X=0.95600000 Y=0.79100000 Z=0.96700000
      -4: X=0.79100000 Y=0.54400000 Z=0.53300000
      -4: X=0.20900000 Y=0.45600000 Z=0.46700000
      -4: X=0.45600000 Y=0.29100000 Z=0.03300000
      -4: X=0.54400000 Y=0.70900000 Z=0.96700000
      -4: X=0.70900000 Y=0.95600000 Z=0.53300000
      -4: X=0.29100000 Y=0.04400000 Z=0.46700000
Ge         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000