H   LATTICE,NONEQUIV.ATOMS   7  147 P-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.755651 12.755651 17.820117 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25170000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.74830000
Na         NPT=  781  R0=.000100000 RMT= 2.20        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.37620000 Y=0.30890000 Z=0.40890000
          MULT= 6          ISPLIT= 8
      -2: X=0.62380000 Y=0.69110000 Z=0.59110000
      -2: X=0.69110000 Y=0.06730000 Z=0.40890000
      -2: X=0.30890000 Y=0.93270000 Z=0.59110000
      -2: X=0.93270000 Y=0.62380000 Z=0.40890000
      -2: X=0.06730000 Y=0.37620000 Z=0.59110000
Na         NPT=  781  R0=.000100000 RMT= 2.20        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36070000 Y=0.04150000 Z=0.09110000
          MULT= 6          ISPLIT= 8
      -3: X=0.63930000 Y=0.95850000 Z=0.90890000
      -3: X=0.95850000 Y=0.31920000 Z=0.09110000
      -3: X=0.04150000 Y=0.68080000 Z=0.90890000
      -3: X=0.68080000 Y=0.63930000 Z=0.09110000
      -3: X=0.31920000 Y=0.36070000 Z=0.90890000
Na         NPT=  781  R0=.000100000 RMT= 2.20        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.26180000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.73820000
Cd         NPT=  781  R0=.000010000 RMT= 2.12        Z:  48.00000              
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=0.03890000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.96110000
O          NPT=  781  R0=.000100000 RMT= 1.83        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 1.83        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  -7: X=0.05310000 Y=0.35890000 Z=0.33710000
          MULT= 6          ISPLIT= 8
      -7: X=0.94690000 Y=0.64110000 Z=0.66290000
      -7: X=0.64110000 Y=0.69420000 Z=0.33710000
      -7: X=0.35890000 Y=0.30580000 Z=0.66290000
      -7: X=0.30580000 Y=0.94690000 Z=0.33710000
      -7: X=0.69420000 Y=0.05310000 Z=0.66290000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000