H   LATTICE,NONEQUIV.ATOMS   7  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.000096 11.000096 19.723072 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Zr         NPT=  781  R0=.000010000 RMT= 1.94        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=0.33333333 Y=0.66666667 Z=0.47600000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.52400000
Zr         NPT=  781  R0=.000010000 RMT= 1.94        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=0.33333333 Y=0.66666667 Z=0.78390000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.21610000
Zr         NPT=  781  R0=.000010000 RMT= 1.94        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=0.00000000 Y=0.00000000 Z=0.32200000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.67800000
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  -5: X=0.33333333 Y=0.66666667 Z=0.11380000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.88620000
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  -6: X=0.83490000 Y=0.16510000 Z=0.12120000
          MULT= 6          ISPLIT= 8
      -6: X=0.16510000 Y=0.83490000 Z=0.87880000
      -6: X=0.83490000 Y=0.66980000 Z=0.12120000
      -6: X=0.16510000 Y=0.33020000 Z=0.87880000
      -6: X=0.33020000 Y=0.16510000 Z=0.12120000
      -6: X=0.66980000 Y=0.83490000 Z=0.87880000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.50950000 Y=0.49050000 Z=0.37720000
          MULT= 6          ISPLIT= 8
      -7: X=0.49050000 Y=0.50950000 Z=0.62280000
      -7: X=0.50950000 Y=0.01900000 Z=0.37720000
      -7: X=0.49050000 Y=0.98100000 Z=0.62280000
      -7: X=0.98100000 Y=0.49050000 Z=0.37720000
      -7: X=0.01900000 Y=0.50950000 Z=0.62280000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000