B   LATTICE,NONEQUIV.ATOMS   4  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 10.854587 10.854587 15.376702 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.50000000 Z=0.75000000
Sr         NPT=  781  R0=.000010000 RMT= 2.38        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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.01        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
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
ATOM  -4: X=0.18600000 Y=0.68600000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.81400000 Y=0.31400000 Z=0.00000000
      -4: X=0.31400000 Y=0.18600000 Z=0.00000000
      -4: X=0.68600000 Y=0.81400000 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