SrIrO3                                                                         
P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.567915 14.898601 10.512546 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Ir         NPT=  781  R0=.000005000 RMT=   2.00      Z:  77.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.49010000 Y=0.25000000 Z=0.50850000
          MULT= 4          ISPLIT= 8
      -2: X=0.50990000 Y=0.75000000 Z=0.49150000
      -2: X=0.00990000 Y=0.75000000 Z=0.00850000
      -2: X=0.99010000 Y=0.25000000 Z=0.99150000
Sr         NPT=  781  R0=.000010000 RMT=   2.19      Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.07300000 Y=0.25000000 Z=0.50600000
          MULT= 4          ISPLIT= 8
      -3: X=0.92700000 Y=0.75000000 Z=0.49400000
      -3: X=0.42700000 Y=0.75000000 Z=0.00600000
      -3: X=0.57300000 Y=0.25000000 Z=0.99400000
O          NPT=  781  R0=.000100000 RMT=   1.77      Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.71400000 Y=0.04400000 Z=0.29200000
          MULT= 8          ISPLIT= 8
      -4: X=0.28600000 Y=0.95600000 Z=0.70800000
      -4: X=0.78600000 Y=0.95600000 Z=0.79200000
      -4: X=0.21400000 Y=0.04400000 Z=0.20800000
      -4: X=0.28600000 Y=0.54400000 Z=0.70800000
      -4: X=0.71400000 Y=0.45600000 Z=0.29200000
      -4: X=0.21400000 Y=0.45600000 Z=0.20800000
      -4: X=0.78600000 Y=0.54400000 Z=0.79200000
O          NPT=  781  R0=.000100000 RMT=   1.77      Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   8      NUMBER OF SYMMETRY OPERATIONS
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.00000000
       1
-1 0 0 0.00000000
 0-1 0 0.00000000
 0 0-1 0.00000000
       2
-1 0 0 0.50000000
 0-1 0 0.00000000
 0 0 1 0.50000000
       3
-1 0 0 0.00000000
 0 1 0 0.50000000
 0 0-1 0.00000000
       4
-1 0 0 0.50000000
 0 1 0 0.50000000
 0 0 1 0.50000000
       5
 1 0 0 0.50000000
 0-1 0 0.50000000
 0 0-1 0.50000000
       6
 1 0 0 0.00000000
 0-1 0 0.50000000
 0 0 1 0.00000000
       7
 1 0 0 0.50000000
 0 1 0 0.00000000
 0 0-1 0.50000000
       8