B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.209434 10.209434 22.754381 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
Sr         NPT=  781  R0=.000010000 RMT= 2.46        Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.87500000
Mo         NPT=  781  R0=.000010000 RMT= 1.71        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=0.13641000 Y=0.01820000 Z=0.20370000
          MULT= 8          ISPLIT= 8
      -3: X=0.86359000 Y=0.98180000 Z=0.79630000
      -3: X=0.23180000 Y=0.88641000 Z=0.95370000
      -3: X=0.26820000 Y=0.61359000 Z=0.54630000
      -3: X=0.86359000 Y=0.48180000 Z=0.20370000
      -3: X=0.13641000 Y=0.51820000 Z=0.79630000
      -3: X=0.26820000 Y=0.11359000 Z=0.45370000
      -3: X=0.23180000 Y=0.38641000 Z=0.04630000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000