P   LATTICE,NONEQUIV.ATOMS   5  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 18.164048 18.164048  5.574692 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10150000 Y=0.60150000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.89850000 Y=0.39850000 Z=0.50000000
      -1: X=0.39850000 Y=0.10150000 Z=0.50000000
      -1: X=0.60150000 Y=0.89850000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 2.01        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.64360000 Y=0.14360000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.35640000 Y=0.85640000 Z=0.00000000
      -2: X=0.85640000 Y=0.64360000 Z=0.00000000
      -2: X=0.14360000 Y=0.35640000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 2.01        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -3: X=0.50000000 Y=0.50000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20530000 Y=0.70530000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.79470000 Y=0.29470000 Z=0.00000000
      -4: X=0.29470000 Y=0.20530000 Z=0.00000000
      -4: X=0.70530000 Y=0.79470000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.82        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.04490000 Y=0.24270000 Z=0.50000000
          MULT= 8          ISPLIT= 8
      -5: X=0.95510000 Y=0.75730000 Z=0.50000000
      -5: X=0.75730000 Y=0.04490000 Z=0.50000000
      -5: X=0.24270000 Y=0.95510000 Z=0.50000000
      -5: X=0.45510000 Y=0.74270000 Z=0.50000000
      -5: X=0.54490000 Y=0.25730000 Z=0.50000000
      -5: X=0.25730000 Y=0.45510000 Z=0.50000000
      -5: X=0.74270000 Y=0.54490000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.82        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000