# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Mg' 'hcp' 12 1 24.320 5.5663414489 2.30 1.00 3.00 1.00 3.2000000000 1.55 0.52 1 9.00 -2.00 -9.50 1.00 3 'Y' 'hcp' 12 1 88.906 4.3749285293 2.00 1.00 1.00 3.50 3.6070000000 4.37 0.90 1 8.00 8.00 -8.50 1.00 3