B   LATTICE,NONEQUIV.ATOMS   3   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.131922 18.131922  6.205861 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Mo         NPT=  781  R0=.000010000 RMT= 2.37        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=0.31400000 Y=0.37500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.68600000 Y=0.62500000 Z=0.00000000
      -2: X=0.62500000 Y=0.31400000 Z=0.00000000
      -2: X=0.37500000 Y=0.68600000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        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  -3: X=0.05900000 Y=0.28000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.94100000 Y=0.72000000 Z=0.00000000
      -3: X=0.72000000 Y=0.05900000 Z=0.00000000
      -3: X=0.28000000 Y=0.94100000 Z=0.00000000
As         NPT=  781  R0=.000050000 RMT= 2.37        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000