# References:
# elt        lat     z       ielement     atwt
# alpha      b0      b1      b2           b3    alat    esub    asub
# t0         t1              t2           t3            rozero  ibar
#
'Al'        'fcc'   12.     13           26.9815
  4.68604   1.56205   5.39270   5.29601  -1.00047   4.05000   3.35999   1.06859
1.0  -1.54917  -1.28508  10.01041 1.0 0