! This atoms input file was generated by TkAtoms 3.0beta8 ! Atoms written by and copyright (c) Bruce Ravel, 1998-2001 space = R 3 C a = 5.5787 b = 5.5787 c = 13.8688 alpha = 90.0 beta = 90.0 gamma = 120.0 core = Bi edge = L3 rmax = 14.0 shift 0.0000 0.0000 0.0000 atoms ! elem x y z tag occ. Bi 0.0000 0.0000 0.0000 1.0000 Fe 0.0000 0.0000 0.2208 1.0000 O 0.4428 0.0187 0.9520 1.0000