H   LATTICE,NONEQUIV.ATOMS   5  147 P-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.614137 17.614137 16.119742 90.000000 90.000000120.000000                   
ATOM  -1: X=0.18990000 Y=0.02690000 Z=0.13450000
          MULT= 6          ISPLIT= 8
      -1: X=0.81010000 Y=0.97310000 Z=0.86550000
      -1: X=0.97310000 Y=0.16300000 Z=0.13450000
      -1: X=0.02690000 Y=0.83700000 Z=0.86550000
      -1: X=0.83700000 Y=0.81010000 Z=0.13450000
      -1: X=0.16300000 Y=0.18990000 Z=0.86550000
W          NPT=  781  R0=.000005000 RMT= 2.39        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18100000 Y=0.21400000 Z=0.32310000
          MULT= 6          ISPLIT= 8
      -2: X=0.81900000 Y=0.78600000 Z=0.67690000
      -2: X=0.78600000 Y=0.96700000 Z=0.32310000
      -2: X=0.21400000 Y=0.03300000 Z=0.67690000
      -2: X=0.03300000 Y=0.81900000 Z=0.32310000
      -2: X=0.96700000 Y=0.18100000 Z=0.67690000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        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  -3: X=0.15700000 Y=0.41000000 Z=0.00100000
          MULT= 6          ISPLIT= 8
      -3: X=0.84300000 Y=0.59000000 Z=0.99900000
      -3: X=0.59000000 Y=0.74700000 Z=0.00100000
      -3: X=0.41000000 Y=0.25300000 Z=0.99900000
      -3: X=0.25300000 Y=0.84300000 Z=0.00100000
      -3: X=0.74700000 Y=0.15700000 Z=0.99900000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        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  -4: X=0.41400000 Y=0.06430000 Z=0.29590000
          MULT= 6          ISPLIT= 8
      -4: X=0.58600000 Y=0.93570000 Z=0.70410000
      -4: X=0.93570000 Y=0.34970000 Z=0.29590000
      -4: X=0.06430000 Y=0.65030000 Z=0.70410000
      -4: X=0.65030000 Y=0.58600000 Z=0.29590000
      -4: X=0.34970000 Y=0.41400000 Z=0.70410000
Cl         NPT=  781  R0=.000100000 RMT= 2.05        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=0.33333333 Y=0.66666667 Z=0.39420000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.60580000
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