B   LATTICE,NONEQUIV.ATOMS   6   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 35.182921 35.182921 19.074896 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36080000 Y=0.03260000 Z=0.00800000
          MULT= 8          ISPLIT= 8
      -1: X=0.63920000 Y=0.96740000 Z=0.99200000
      -1: X=0.21740000 Y=0.11080000 Z=0.75800000
      -1: X=0.28260000 Y=0.38920000 Z=0.74200000
      -1: X=0.63920000 Y=0.46740000 Z=0.00800000
      -1: X=0.36080000 Y=0.53260000 Z=0.99200000
      -1: X=0.28260000 Y=0.88920000 Z=0.25800000
      -1: X=0.21740000 Y=0.61080000 Z=0.24200000
In         NPT=  781  R0=.000010000 RMT= 2.48        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  -2: X=0.14820000 Y=0.05210000 Z=0.12780000
          MULT= 8          ISPLIT= 8
      -2: X=0.85180000 Y=0.94790000 Z=0.87220000
      -2: X=0.19790000 Y=0.89820000 Z=0.87780000
      -2: X=0.30210000 Y=0.60180000 Z=0.62220000
      -2: X=0.85180000 Y=0.44790000 Z=0.12780000
      -2: X=0.14820000 Y=0.55210000 Z=0.87220000
      -2: X=0.30210000 Y=0.10180000 Z=0.37780000
      -2: X=0.19790000 Y=0.39820000 Z=0.12220000
In         NPT=  781  R0=.000010000 RMT= 2.48        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=0.25260000 Y=0.12150000 Z=0.00830000
          MULT= 8          ISPLIT= 8
      -3: X=0.74740000 Y=0.87850000 Z=0.99170000
      -3: X=0.12850000 Y=0.00260000 Z=0.75830000
      -3: X=0.37150000 Y=0.49740000 Z=0.74170000
      -3: X=0.74740000 Y=0.37850000 Z=0.00830000
      -3: X=0.25260000 Y=0.62150000 Z=0.99170000
      -3: X=0.37150000 Y=0.99740000 Z=0.25830000
      -3: X=0.12850000 Y=0.50260000 Z=0.24170000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16220000 Y=0.08730000 Z=0.37730000
          MULT= 8          ISPLIT= 8
      -4: X=0.83780000 Y=0.91270000 Z=0.62270000
      -4: X=0.16270000 Y=0.91220000 Z=0.12730000
      -4: X=0.33730000 Y=0.58780000 Z=0.37270000
      -4: X=0.83780000 Y=0.41270000 Z=0.37730000
      -4: X=0.16220000 Y=0.58730000 Z=0.62270000
      -4: X=0.33730000 Y=0.08780000 Z=0.62730000
      -4: X=0.16270000 Y=0.41220000 Z=0.87270000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.02410000 Y=0.39370000 Z=0.57140000
          MULT= 8          ISPLIT= 8
      -5: X=0.97590000 Y=0.60630000 Z=0.42860000
      -5: X=0.85630000 Y=0.77410000 Z=0.32140000
      -5: X=0.64370000 Y=0.72590000 Z=0.17860000
      -5: X=0.97590000 Y=0.10630000 Z=0.57140000
      -5: X=0.02410000 Y=0.89370000 Z=0.42860000
      -5: X=0.64370000 Y=0.22590000 Z=0.82140000
      -5: X=0.85630000 Y=0.27410000 Z=0.67860000
I          NPT=  781  R0=.000010000 RMT= 2.48        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  -6: X=0.02630000 Y=0.10850000 Z=0.04250000
          MULT= 8          ISPLIT= 8
      -6: X=0.97370000 Y=0.89150000 Z=0.95750000
      -6: X=0.14150000 Y=0.77630000 Z=0.79250000
      -6: X=0.35850000 Y=0.72370000 Z=0.70750000
      -6: X=0.97370000 Y=0.39150000 Z=0.04250000
      -6: X=0.02630000 Y=0.60850000 Z=0.95750000
      -6: X=0.35850000 Y=0.22370000 Z=0.29250000
      -6: X=0.14150000 Y=0.27630000 Z=0.20750000
I          NPT=  781  R0=.000010000 RMT= 2.48        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000