89.942029 -.00007 -4.5480 0  888.1320  1 -56516   1 0           1            Fe-atom
   184.125369 -.00006 -3.3866 0  704.0070  3 -56516   1 1           2            Fe-atom
   288.074000 -.00100 -2.4280 0  415.9330  5  56516   1 2           3            Fe-atom
   415.933000 -.00100 -1.4651 0    0.0000  7  56516   1 3           4            Fe-atom