R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 22.239053 22.239053 22.147776 90.000000 90.000000120.000000                   
ATOM  -1: X=0.15622000 Y=0.38067000 Z=0.79716000
          MULT= 6          ISPLIT= 8
      -1: X=0.84378000 Y=0.61933000 Z=0.20284000
      -1: X=0.38067000 Y=0.79716000 Z=0.15622000
      -1: X=0.61933000 Y=0.20284000 Z=0.84378000
      -1: X=0.79716000 Y=0.15622000 Z=0.38067000
      -1: X=0.20284000 Y=0.84378000 Z=0.61933000
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33864000 Y=0.33864000 Z=0.33864000
          MULT= 2          ISPLIT= 4
      -2: X=0.66136000 Y=0.66136000 Z=0.66136000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Zr         NPT=  781  R0=.000010000 RMT= 2.04        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=0.38760000 Y=0.41619000 Z=0.81250000
          MULT= 6          ISPLIT= 8
      -4: X=0.61240000 Y=0.58381000 Z=0.18750000
      -4: X=0.41619000 Y=0.81250000 Z=0.38760000
      -4: X=0.58381000 Y=0.18750000 Z=0.61240000
      -4: X=0.81250000 Y=0.38760000 Z=0.41619000
      -4: X=0.18750000 Y=0.61240000 Z=0.58381000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.14313000 Y=0.22702000 Z=0.95673000
          MULT= 6          ISPLIT= 8
      -5: X=0.85687000 Y=0.77298000 Z=0.04327000
      -5: X=0.22702000 Y=0.95673000 Z=0.14313000
      -5: X=0.77298000 Y=0.04327000 Z=0.85687000
      -5: X=0.95673000 Y=0.14313000 Z=0.22702000
      -5: X=0.04327000 Y=0.85687000 Z=0.77298000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.60720000 Y=0.09951000 Z=0.21810000
          MULT= 6          ISPLIT= 8
      -6: X=0.39280000 Y=0.90049000 Z=0.78190000
      -6: X=0.09951000 Y=0.21810000 Z=0.60720000
      -6: X=0.90049000 Y=0.78190000 Z=0.39280000
      -6: X=0.21810000 Y=0.60720000 Z=0.09951000
      -6: X=0.78190000 Y=0.39280000 Z=0.90049000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000