H   LATTICE,NONEQUIV.ATOMS   5  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.476522 16.476522 17.993783 90.000000 90.000000120.000000                   
ATOM  -1: X=0.34922000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.65078000 Y=0.00000000 Z=0.75000000
      -1: X=0.00000000 Y=0.34922000 Z=0.25000000
      -1: X=0.00000000 Y=0.65078000 Z=0.75000000
      -1: X=0.65078000 Y=0.65078000 Z=0.25000000
      -1: X=0.34922000 Y=0.34922000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 1.81        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.05        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.10090000 Y=0.53600000 Z=0.12630000
          MULT=12          ISPLIT= 8
      -3: X=0.89910000 Y=0.46400000 Z=0.87370000
      -3: X=0.46400000 Y=0.56490000 Z=0.12630000
      -3: X=0.53600000 Y=0.43510000 Z=0.87370000
      -3: X=0.46400000 Y=0.89910000 Z=0.62630000
      -3: X=0.53600000 Y=0.10090000 Z=0.37370000
      -3: X=0.43510000 Y=0.89910000 Z=0.12630000
      -3: X=0.56490000 Y=0.10090000 Z=0.87370000
      -3: X=0.10090000 Y=0.56490000 Z=0.62630000
      -3: X=0.89910000 Y=0.43510000 Z=0.37370000
      -3: X=0.43510000 Y=0.53600000 Z=0.62630000
      -3: X=0.56490000 Y=0.46400000 Z=0.37370000
F          NPT=  781  R0=.000100000 RMT= 1.64        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.08660000 Y=0.21810000 Z=0.13080000
          MULT=12          ISPLIT= 8
      -4: X=0.91340000 Y=0.78190000 Z=0.86920000
      -4: X=0.78190000 Y=0.86850000 Z=0.13080000
      -4: X=0.21810000 Y=0.13150000 Z=0.86920000
      -4: X=0.78190000 Y=0.91340000 Z=0.63080000
      -4: X=0.21810000 Y=0.08660000 Z=0.36920000
      -4: X=0.13150000 Y=0.91340000 Z=0.13080000
      -4: X=0.86850000 Y=0.08660000 Z=0.86920000
      -4: X=0.08660000 Y=0.86850000 Z=0.63080000
      -4: X=0.91340000 Y=0.13150000 Z=0.36920000
      -4: X=0.13150000 Y=0.21810000 Z=0.63080000
      -4: X=0.86850000 Y=0.78190000 Z=0.36920000
F          NPT=  781  R0=.000100000 RMT= 1.64        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.42270000 Y=0.20510000 Z=0.14730000
          MULT=12          ISPLIT= 8
      -5: X=0.57730000 Y=0.79490000 Z=0.85270000
      -5: X=0.79490000 Y=0.21760000 Z=0.14730000
      -5: X=0.20510000 Y=0.78240000 Z=0.85270000
      -5: X=0.79490000 Y=0.57730000 Z=0.64730000
      -5: X=0.20510000 Y=0.42270000 Z=0.35270000
      -5: X=0.78240000 Y=0.57730000 Z=0.14730000
      -5: X=0.21760000 Y=0.42270000 Z=0.85270000
      -5: X=0.42270000 Y=0.21760000 Z=0.64730000
      -5: X=0.57730000 Y=0.78240000 Z=0.35270000
      -5: X=0.78240000 Y=0.20510000 Z=0.64730000
      -5: X=0.21760000 Y=0.79490000 Z=0.35270000
F          NPT=  781  R0=.000100000 RMT= 1.64        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000