P   LATTICE,NONEQUIV.ATOMS   5  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 18.063892 18.063892  5.404617 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10210000 Y=0.60210000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.89790000 Y=0.39790000 Z=0.50000000
      -1: X=0.39790000 Y=0.10210000 Z=0.50000000
      -1: X=0.60210000 Y=0.89790000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 1.98        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=0.64440000 Y=0.14440000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.35560000 Y=0.85560000 Z=0.00000000
      -2: X=0.85560000 Y=0.64440000 Z=0.00000000
      -2: X=0.14440000 Y=0.35560000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 1.98        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
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20640000 Y=0.70640000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.79360000 Y=0.29360000 Z=0.00000000
      -4: X=0.29360000 Y=0.20640000 Z=0.00000000
      -4: X=0.70640000 Y=0.79360000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.79        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=0.04510000 Y=0.24070000 Z=0.50000000
          MULT= 8          ISPLIT= 8
      -5: X=0.95490000 Y=0.75930000 Z=0.50000000
      -5: X=0.75930000 Y=0.04510000 Z=0.50000000
      -5: X=0.24070000 Y=0.95490000 Z=0.50000000
      -5: X=0.45490000 Y=0.74070000 Z=0.50000000
      -5: X=0.54510000 Y=0.25930000 Z=0.50000000
      -5: X=0.25930000 Y=0.45490000 Z=0.50000000
      -5: X=0.74070000 Y=0.54510000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000