LaFeAsO                                                     
P   LATTICE,NONEQUIV.ATOMS:  4129_P4/nmm                    
MODE OF CALC=RELA unit=ang 
  7.625672  7.625672 16.517914 90.000000 90.000000 90.000000
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
ATOM  -1:X= 0.25000000 Y=0.75000000 Z=0.50000000
Fe         NPT=  781  R0=0.00010000 RMT=    2.0000   Z: 26.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.25000000 Y=0.25000000 Z=0.65120000
          MULT= 2          ISPLIT= 8
ATOM   2:X= 0.75000000 Y=0.75000000 Z=0.34880000
As         NPT=  781  R0=0.00010000 RMT=    2.0000   Z: 33.0
LOCAL ROT MATRIX:    0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
ATOM   3: X=0.75000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
ATOM   3:X= 0.25000000 Y=0.75000000 Z=0.00000000
O          NPT=  781  R0=0.00010000 RMT=    2.0000   Z:  8.0
LOCAL ROT MATRIX:    0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
ATOM   4: X=0.25000000 Y=0.25000000 Z=0.14154000
          MULT= 2          ISPLIT= 8
ATOM   4:X= 0.75000000 Y=0.75000000 Z=0.85846000
La         NPT=  781  R0=0.00010000 RMT=    2.0000   Z: 57.0
LOCAL ROT MATRIX:    0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 0.0000000
   0      NUMBER OF SYMMETRY OPERATIONS