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Output .xtl Format
Write out atoms in the old insight .xtl format, which is still used by some packages.
macro Out_xtl(file) {
out file
Out_String("TITLE ")
Out(Get(phase_name))
Out_String("\nCELL\n")
Out(Get(a), "%9.4f")
Out(Get(b), "%9.4f")
Out(Get(c), "%9.4f")
Out(Get(al), "%9.4f")
Out(Get(be), "%9.4f")
Out(Get(ga), "%9.4f")
Out_String("\nATOMS")
Out_String("\nNAME X Y Z")
atom_out file append
load out_record out_fmt out_eqn
{
"\n%-4s" = Get_From_String(Get(current_atom), atom);
"%11.8f " = Get_From_String(Get(current_atom), x);
" %11.8f " = Get_From_String(Get(current_atom), y);
" %11.8f " = Get_From_String(Get(current_atom), z);
}
out file append
Out_String("\nEOF")
}