P   LATTICE,NONEQUIV.ATOMS   6   55 Pbam    
MODE OF CALC=RELA unit=bohr
 13.795001 17.791772  6.893721 90.000000 90.000000 90.000000
ATOM  -1: X=0.37600000 Y=0.08300000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -1: X=0.62400000 Y=0.91700000 Z=0.50000000
      -1: X=0.12400000 Y=0.58300000 Z=0.50000000
      -1: X=0.87600000 Y=0.41700000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.37700000 Y=0.34900000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -2: X=0.62300000 Y=0.65100000 Z=0.50000000
      -2: X=0.12300000 Y=0.84900000 Z=0.50000000
      -2: X=0.87700000 Y=0.15100000 Z=0.50000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21900000 Y=0.18300000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.78100000 Y=0.81700000 Z=0.00000000
      -3: X=0.28100000 Y=0.68300000 Z=0.00000000
      -3: X=0.71900000 Y=0.31700000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.10800000 Y=0.04400000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -4: X=0.89200000 Y=0.95600000 Z=0.00000000
      -4: X=0.39200000 Y=0.54400000 Z=0.00000000
      -4: X=0.60800000 Y=0.45600000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.13900000 Y=0.46700000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -5: X=0.86100000 Y=0.53300000 Z=0.00000000
      -5: X=0.36100000 Y=0.96700000 Z=0.00000000
      -5: X=0.63900000 Y=0.03300000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.02200000 Y=0.31200000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -6: X=0.97800000 Y=0.68800000 Z=0.00000000
      -6: X=0.47800000 Y=0.81200000 Z=0.00000000
      -6: X=0.52200000 Y=0.18800000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000