[Wien] Heusler Alloy Fe2CrSn_Atomic Position

[alpa dashora]

Dear Wien2k Users,

I am trying to calculate the electronic structure of Heusler alloy Fe2CrSn
using Wien2k. It is supposed to exist in L2/1 structure (space group 225)
with following positions:
Fe: 0.25 0.25 0.25
Fe: 0.75 0.75 0.75
Cr:  0.5   0.5   0.5
Sn: 0.0  0.0   0.0

When the positions are changed as follows:
Fe: 0.0  0.0   0.0
Fe:  0.5   0.5   0.5
Cr: 0.25 0.25 0.25 Sn: 0.75 0.75 0.75

then the Wien shows space group 216 and magnetic properties are totally
changed.

Is it right and what is the excact structure for Fe2CrSn?

Please help me.

Thanks in advance,




-- 
Alpa Dashora
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