Hi everyone,

I'm having some difficulties outputting .mcif files from Topas v6.
I've used the macro: http://topas.dur.ac.uk/topaswiki/doku.php?id=out_cif_mag
And i've been using VESTA to visualize my structure.

From the above mentioned macro i changed the line "Out_String("\n_magnetic_atom_site_label")" to Out_String("\n_magnetic_atom_site_moment_label") in line 41
And i commented out the "Out_String("\n_magnetic_space_group_symop_id")".

These 2 edits make the .mcif files "work", but I'm obviously lacking the symmetry operator information now.
A fix could be enumerating the symmetry operators, but I don't know how to add that to the aforementioned macro.

The file should read e.g. for Cm'cm':

loop_
_magnetic_space_group_symop_id
_magnetic_space_group_symop_operation_xyz
_magnetic_space_group_symop_operation_mxmymz
_magnetic_space_group_symop_operation_timereversal
1	 -x,-y,-z  mx,my,mz +1
2	 -x,-y,z+1/2  mx,my,-mz -1
3	 -x,y,-z+1/2  -mx,my,-mz +1
4	 -x,y,z  -mx,my,mz -1
5	 -x+1/2,-y+1/2,-z  mx,my,mz +1
6	 -x+1/2,-y+1/2,z+1/2  mx,my,-mz -1
7	 -x+1/2,y+1/2,-z+1/2  -mx,my,-mz +1
8	 -x+1/2,y+1/2,z  -mx,my,mz -1
9	 x,-y,-z  -mx,my,mz -1
10	 x,-y,z+1/2  -mx,my,-mz +1
11	 x,y,-z+1/2  mx,my,-mz -1
12	 x,y,z  mx,my,mz +1
13	 x+1/2,-y+1/2,-z  -mx,my,mz -1
14	 x+1/2,-y+1/2,z+1/2  -mx,my,-mz +1
15	 x+1/2,y+1/2,-z+1/2  mx,my,-mz -1
16	 x+1/2,y+1/2,z  mx,my,mz +1

Rather than

loop_
_magnetic_space_group_symop_operation_xyz
_magnetic_space_group_symop_operation_mxmymz
_magnetic_space_group_symop_operation_timereversal
	 -x,-y,-z  mx,my,mz +1
	 -x,-y,z+1/2  mx,my,-mz -1
	 -x,y,-z+1/2  -mx,my,-mz +1
	 -x,y,z  -mx,my,mz -1
	 -x+1/2,-y+1/2,-z  mx,my,mz +1
	 -x+1/2,-y+1/2,z+1/2  mx,my,-mz -1
	 -x+1/2,y+1/2,-z+1/2  -mx,my,-mz +1
	 -x+1/2,y+1/2,z  -mx,my,mz -1
	 x,-y,-z  -mx,my,mz -1
	 x,-y,z+1/2  -mx,my,-mz +1
	 x,y,-z+1/2  mx,my,-mz -1
	 x,y,z  mx,my,mz +1
	 x+1/2,-y+1/2,-z  -mx,my,mz -1
	 x+1/2,-y+1/2,z+1/2  -mx,my,-mz +1
	 x+1/2,y+1/2,-z+1/2  mx,my,-mz -1
	 x+1/2,y+1/2,z  mx,my,mz +1

Is there a way to pull this or write this when using: Out(Get(mag_sp_xyzs_txt), "%s")
I'm very new to TOPAS so my apologies if this is a simple fix.

Best regards, Mathias