R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.950509 17.950509 48.906111 90.000000 90.000000120.000000                   
ATOM  -1: X=0.28471000 Y=0.39937000 Z=0.66659000
          MULT= 6          ISPLIT= 8
      -1: X=0.71529000 Y=0.60063000 Z=0.33341000
      -1: X=0.39937000 Y=0.66659000 Z=0.28471000
      -1: X=0.60063000 Y=0.33341000 Z=0.71529000
      -1: X=0.66659000 Y=0.28471000 Z=0.39937000
      -1: X=0.33341000 Y=0.71529000 Z=0.60063000
Zr         NPT=  781  R0=.000010000 RMT= 2.44        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Zr         NPT=  781  R0=.000010000 RMT= 2.44        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=0.27595000 Y=0.27595000 Z=0.27595000
          MULT= 2          ISPLIT= 4
      -3: X=0.72405000 Y=0.72405000 Z=0.72405000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.57088000 Y=0.44231000 Z=0.14646000
          MULT= 6          ISPLIT= 8
      -4: X=0.42912000 Y=0.55769000 Z=0.85354000
      -4: X=0.44231000 Y=0.14646000 Z=0.57088000
      -4: X=0.55769000 Y=0.85354000 Z=0.42912000
      -4: X=0.14646000 Y=0.57088000 Z=0.44231000
      -4: X=0.85354000 Y=0.42912000 Z=0.55769000
Cl         NPT=  781  R0=.000100000 RMT= 2.21        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.36470000 Y=0.21174000 Z=0.93080000
          MULT= 6          ISPLIT= 8
      -5: X=0.63530000 Y=0.78826000 Z=0.06920000
      -5: X=0.21174000 Y=0.93080000 Z=0.36470000
      -5: X=0.78826000 Y=0.06920000 Z=0.63530000
      -5: X=0.93080000 Y=0.36470000 Z=0.21174000
      -5: X=0.06920000 Y=0.63530000 Z=0.78826000
Cl         NPT=  781  R0=.000100000 RMT= 2.21        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.28507000 Y=0.86440000 Z=0.01550000
          MULT= 6          ISPLIT= 8
      -6: X=0.71493000 Y=0.13560000 Z=0.98450000
      -6: X=0.86440000 Y=0.01550000 Z=0.28507000
      -6: X=0.13560000 Y=0.98450000 Z=0.71493000
      -6: X=0.01550000 Y=0.28507000 Z=0.86440000
      -6: X=0.98450000 Y=0.71493000 Z=0.13560000
Cl         NPT=  781  R0=.000100000 RMT= 2.21        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000