Hello everyone Does anybody know atoms file of Zr-foil? I checked it in atoms.inp archive but it is no there. so I made it as following: title name: Zirconium title formula: Zr title sites: Zr1 title refer1: title refer2: title schoen: title notes1: metal, hexagonal close packed space p 63/ m m c a = 3.232 b = 3.232 c = 514.7 alpha= 90 rmax = 6.00 core = Zr1 atom Zr 0.33333 0.66667 0.25000 Zr1 ------ is it right?